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2469-99-0 Usage

Uses

3-?Oxobutanenitrile is a reagent used in the synthesis of pyrazolopyrimidinones as well as in the preparation of inhibitors of phosphopantetheine

Check Digit Verification of cas no

The CAS Registry Mumber 2469-99-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,6 and 9 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 2469-99:
(6*2)+(5*4)+(4*6)+(3*9)+(2*9)+(1*9)=110
110 % 10 = 0
So 2469-99-0 is a valid CAS Registry Number.
InChI:InChI=1/C4H5NO/c1-4(6)2-3-5/h2H2,1H3

2469-99-0 Well-known Company Product Price

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  • CAS number
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  • Detail
  • Alfa Aesar

  • (H64536)  3-Oxobutanenitrile, 96%   

  • 2469-99-0

  • 250mg

  • 753.0CNY

  • Detail
  • Alfa Aesar

  • (H64536)  3-Oxobutanenitrile, 96%   

  • 2469-99-0

  • 1g

  • 2254.0CNY

  • Detail

2469-99-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Oxobutanenitrile

1.2 Other means of identification

Product number -
Other names 2-Oxopropyl cyanide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2469-99-0 SDS

2469-99-0Synthetic route

2-methyl-3-oxobutanamide
4433-76-5

2-methyl-3-oxobutanamide

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
at 300℃; for 1h; Temperature;89%
ethyl acetate
141-78-6

ethyl acetate

acetonitrile
75-05-8

acetonitrile

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Reagent/catalyst; Inert atmosphere;87%
With sodium amide; benzene
With sodium
acetic acid methyl ester
79-20-9

acetic acid methyl ester

acetonitrile
75-05-8

acetonitrile

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Reagent/catalyst; Inert atmosphere;85%
With potassium 2-methylbutan-2-olate In tetrahydrofuran; toluene at 0 - 20℃; Inert atmosphere;81%
With potassium tert-butylate In tetrahydrofuran at 20℃;
With potassium 2-methylbutan-2-olate In tetrahydrofuran; toluene at 0 - 20℃; for 78h;
3-Amino-3-butennitril
81056-48-6

3-Amino-3-butennitril

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With hydrogenchloride; water In water at 80℃; for 2h;76%
With hydrogenchloride 1.) 15 min, 2.) O(CH2CH3)2, 3 d; Yield given. Multistep reaction;
3-acetyl-5-methylisoxazole
24068-54-0

3-acetyl-5-methylisoxazole

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With methanol; sodium for 5h; Heating;75%
With sodium methylate In methanol at 20℃;
5-methylisoxazole
5765-44-6

5-methylisoxazole

N-Methoxy-N-methylacetamide
78191-00-1

N-Methoxy-N-methylacetamide

A

Cyanoaceton
2469-99-0

Cyanoaceton

B

3,5-dioxohexanenitrile
115706-49-5

3,5-dioxohexanenitrile

Conditions
ConditionsYield
With lithium diisopropyl amide In tetrahydrofuran at 0℃; for 1.25h;A 7%
B 73%
carbon monoxide
201230-82-2

carbon monoxide

chloroacetonitrile
107-14-2

chloroacetonitrile

methyl iodide
74-88-4

methyl iodide

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With sodium hydroxide; iron pentacarbonyl; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane at 10℃; under 10 Torr;65%
3-Aminocrotononitrile
1118-61-2

3-Aminocrotononitrile

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With hydrogenchloride In water at 80℃; for 3h;53%
With hydrogenchloride
With hydrogenchloride In diethyl ether at 0℃;
2-aminocrotononitrile
870-64-4

2-aminocrotononitrile

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With hydrogenchloride In water at 80℃; for 3h; Inert atmosphere;49%
With hydrogenchloride; water at 80℃; for 3h;48%
3-iminobutyronitrile
1118-60-1

3-iminobutyronitrile

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With hydrogenchloride; water at 80℃; for 3h;48%
5-methylisoxazole
5765-44-6

5-methylisoxazole

sodium ethanolate
141-52-6

sodium ethanolate

Cyanoaceton
2469-99-0

Cyanoaceton

5-methylisoxazole
5765-44-6

5-methylisoxazole

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
In gas at 530℃; under 0.1 Torr; for 2.77778E-05h; Rate constant; Thermodynamic data; Kinetics; mechanism; Arrhenius parameters: log A, Ea; different temp., pressures, and times;
With sodium ethanolate
With potassium hydroxide
but-2-ynal oxime
313048-10-1

but-2-ynal oxime

sodium ethanolate
141-52-6

sodium ethanolate

Cyanoaceton
2469-99-0

Cyanoaceton

3-Aminocrotononitrile
1118-61-2

3-Aminocrotononitrile

oxalic acid
144-62-7

oxalic acid

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
at 0 - 20℃; Geschwindigkeit des Uebergangs;
3-Aminocrotononitrile
1118-61-2

3-Aminocrotononitrile

acetic acid
64-19-7

acetic acid

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
at 0 - 20℃; Geschwindigkeit des Uebergangs;
ethyl thioacetate
625-60-5

ethyl thioacetate

acetonitrile
75-05-8

acetonitrile

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With sodium
α-Cyan-acetessigsaeure
88511-40-4

α-Cyan-acetessigsaeure

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
In water
cyanoacetic acid tert-butyl ester
1116-98-9

cyanoacetic acid tert-butyl ester

acetyl chloride
75-36-5

acetyl chloride

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
(i) benzene, (ii) TsOH; Multistep reaction;
propiononitrile
107-12-0

propiononitrile

formic acid ethyl ester
109-94-4

formic acid ethyl ester

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
With sodium hydride In diethyl ether; ethanol Ambient temperature; overnight;
5-methylisoxazole
5765-44-6

5-methylisoxazole

aqueous KOH

aqueous KOH

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
at 25.5℃; Rate constant; sowie bei 37.1grad und 41.75grad;
5-methylisoxazole
5765-44-6

5-methylisoxazole

diluted KOH-solution

diluted KOH-solution

Cyanoaceton
2469-99-0

Cyanoaceton

ethyl thioacetate
625-60-5

ethyl thioacetate

acetonitrile
75-05-8

acetonitrile

sodium

sodium

Cyanoaceton
2469-99-0

Cyanoaceton

3-Aminocrotononitrile
1118-61-2

3-Aminocrotononitrile

sulfuric acid
7664-93-9

sulfuric acid

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
at 0 - 20℃; Geschwindigkeit des Uebergangs;
S-ethyl acetothioacetate
3075-23-8

S-ethyl acetothioacetate

acetonitrile
75-05-8

acetonitrile

sodium

sodium

Cyanoaceton
2469-99-0

Cyanoaceton

but-2-ynal oxime
313048-10-1

but-2-ynal oxime

strong NaOH-solution

strong NaOH-solution

Cyanoaceton
2469-99-0

Cyanoaceton

hydrogenchloride
7647-01-0

hydrogenchloride

3-Aminocrotononitrile
1118-61-2

3-Aminocrotononitrile

A

Cyanoaceton
2469-99-0

Cyanoaceton

B

ammonia
7664-41-7

ammonia

Conditions
ConditionsYield
stable form;
hydrogenchloride
7647-01-0

hydrogenchloride

N-(2-cyano-1-methyl-vinyl)-benzamide
27036-88-0

N-(2-cyano-1-methyl-vinyl)-benzamide

A

Cyanoaceton
2469-99-0

Cyanoaceton

B

ammonia
7664-41-7

ammonia

C

benzoic acid
65-85-0

benzoic acid

potassium cyanide

potassium cyanide

chloroacetone
78-95-5

chloroacetone

Cyanoaceton
2469-99-0

Cyanoaceton

Conditions
ConditionsYield
In N,N-dimethyl-formamide for 0.166667h; Heating;
isocarboxazid
59-63-2

isocarboxazid

A

Cyanoaceton
2469-99-0

Cyanoaceton

B

N-(benzylamino)isocyanate

N-(benzylamino)isocyanate

Conditions
ConditionsYield
Heating; neat (no solvent);
Cyanoaceton
2469-99-0

Cyanoaceton

orthoformic acid triethyl ester
122-51-0

orthoformic acid triethyl ester

2-(ethoxymethylene)-3-oxobutane-nitrile
105224-25-7

2-(ethoxymethylene)-3-oxobutane-nitrile

Conditions
ConditionsYield
With acetic anhydride for 2h; Reflux; Inert atmosphere;100%
for 5h; Heating;
With acetic anhydride
With acetic anhydride at 95 - 115℃; for 1h;
Cyanoaceton
2469-99-0

Cyanoaceton

4-fluorophenylhydrazine
371-14-2

4-fluorophenylhydrazine

1‐(4‐fluorophenyl)‐3‐methyl‐1H‐pyrazol‐5‐amine
76606-39-8

1‐(4‐fluorophenyl)‐3‐methyl‐1H‐pyrazol‐5‐amine

Conditions
ConditionsYield
With acetic acid In ethanol Reflux;100%
Cyanoaceton
2469-99-0

Cyanoaceton

cyclohexylhydrazine hydrochloride
24214-73-1

cyclohexylhydrazine hydrochloride

1-cyclohexyl-3-methyl-1H-pyrazol-5-amine
56547-82-1

1-cyclohexyl-3-methyl-1H-pyrazol-5-amine

Conditions
ConditionsYield
In ethanol for 18h; Reflux;99.2%
With acetic acid In ethanol for 6h; Reflux;40%
In ethanol Reflux;
indole
120-72-9

indole

Cyanoaceton
2469-99-0

Cyanoaceton

2-(1H-indol-3-yl)-3-oxobutanenitrile
1346266-72-5

2-(1H-indol-3-yl)-3-oxobutanenitrile

Conditions
ConditionsYield
With tert.-butylhydroperoxide; cerium(III) acetate; 2,3,6-trimethyl-beta-cyclodextrin In water at 100℃; for 10h;93%
Pyruvic aldehyde dimethyl acetal
6342-56-9

Pyruvic aldehyde dimethyl acetal

Cyanoaceton
2469-99-0

Cyanoaceton

2-acetyl-4,4-dimethoxy-3-methylbut-2-enenitrile
936919-14-1

2-acetyl-4,4-dimethoxy-3-methylbut-2-enenitrile

Conditions
ConditionsYield
With ammonium acetate; acetic acid In toluene at 80 - 85℃; for 2h;91%
Cyanoaceton
2469-99-0

Cyanoaceton

2,3-dicyano-5,6-dichloro-p-benzoquinone
84-58-2

2,3-dicyano-5,6-dichloro-p-benzoquinone

5-methylfuran-2,3,4-tricarbonitrile
1476782-12-3

5-methylfuran-2,3,4-tricarbonitrile

Conditions
ConditionsYield
In acetonitrile at 20℃; Inert atmosphere;91%
In ethyl acetate at 25℃;77%
Cyanoaceton
2469-99-0

Cyanoaceton

ammonium thiocyanate
1147550-11-5

ammonium thiocyanate

(E)-3-amino-2-thiocyanatobut-2-enenitrile

(E)-3-amino-2-thiocyanatobut-2-enenitrile

Conditions
ConditionsYield
With fluorescein free acid In acetonitrile at 20℃; UV-irradiation;91%
With fluorescein In acetonitrile at 20℃; for 6h; Irradiation;91%
Cyanoaceton
2469-99-0

Cyanoaceton

benzaldehyde
100-52-7

benzaldehyde

3-oxo-2-[1-phenylmeth-(E)-ylidene]butyronitrile
104919-31-5

3-oxo-2-[1-phenylmeth-(E)-ylidene]butyronitrile

Conditions
ConditionsYield
With L-proline In ethanol at 20℃; for 24h; Knoevenagel condensation;90%
1-(β,β-difluorovinyl)4-phenylbenzene
1022094-45-6

1-(β,β-difluorovinyl)4-phenylbenzene

Cyanoaceton
2469-99-0

Cyanoaceton

5-([1,1'-biphenyl]-4-yl)-2-methylfuran-3-carbonitrile

5-([1,1'-biphenyl]-4-yl)-2-methylfuran-3-carbonitrile

Conditions
ConditionsYield
With copper(l) iodide; caesium carbonate In dimethyl sulfoxide at 120℃; Inert atmosphere;90%
quinazolin-4-ylhydrazine
36075-44-2

quinazolin-4-ylhydrazine

Cyanoaceton
2469-99-0

Cyanoaceton

3-methyl-1-(quinazolin-4-yl)-1H-pyrazol-5-amine
1206693-96-0

3-methyl-1-(quinazolin-4-yl)-1H-pyrazol-5-amine

Conditions
ConditionsYield
In ethanol at 60℃; for 18h;89%
In ethanol at 60℃; for 18h;89%
Cyanoaceton
2469-99-0

Cyanoaceton

C18H22O2

C18H22O2

(R)-6-(tert-butyl)-2-methyl-4-(o-tolyl)-4H-chromene-3-carbonitrile

(R)-6-(tert-butyl)-2-methyl-4-(o-tolyl)-4H-chromene-3-carbonitrile

Conditions
ConditionsYield
Stage #1: Cyanoaceton; C18H22O2 With C44H45O4P In chloroform at 0℃; for 72h;
Stage #2: With toluene-4-sulfonic acid In chloroform for 4h; Reflux; enantioselective reaction;
89%
Cyanoaceton
2469-99-0

Cyanoaceton

3-nitro-benzaldehyde
99-61-6

3-nitro-benzaldehyde

2-(3-nitrobenzylidene)-3-oxobutanenitrile

2-(3-nitrobenzylidene)-3-oxobutanenitrile

Conditions
ConditionsYield
With D-Prolin In methanol; ethanol at 20℃; for 48h; Knoevenagel Condensation;88.1%
Cyanoaceton
2469-99-0

Cyanoaceton

ethanol
64-17-5

ethanol

(3S)-2-ethyl-3-hydroxybutyronitrile
38046-53-6, 123689-94-1, 123689-96-3

(3S)-2-ethyl-3-hydroxybutyronitrile

Conditions
ConditionsYield
In water for 48h; Ambient temperature; bakers' yeast, in solution of D-glucose;88%
Cyanoaceton
2469-99-0

Cyanoaceton

toluene-4-sulfonic acid hydrazide
1576-35-8

toluene-4-sulfonic acid hydrazide

C11H13N3O2S

C11H13N3O2S

Conditions
ConditionsYield
In methanol for 2h; Solvent; Reflux;88%
Cyanoaceton
2469-99-0

Cyanoaceton

benzenesufonyl hydrazide
80-17-1

benzenesufonyl hydrazide

1-phenylbutan-1,3-dione
93-91-4

1-phenylbutan-1,3-dione

Conditions
ConditionsYield
With 1,10-Phenanthroline; water; palladium diacetate In N,N-dimethyl-formamide at 100℃; under 760.051 Torr; for 6h;87%
Cyanoaceton
2469-99-0

Cyanoaceton

4-tercbutyl-cyclohexanone
98-53-3

4-tercbutyl-cyclohexanone

1-{2-amino-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}ethanone

1-{2-amino-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}ethanone

Conditions
ConditionsYield
With piperidine; octasulfur In methanol at 55 - 65℃; for 24h; Gewald Aminoheterocycles Synthesis;86%
With piperidine; sulfur at 55 - 65℃; for 24h; Gewald Aminoheterocycles Synthesis;
2-amino-1-benzenesulfonic acid
88-21-1

2-amino-1-benzenesulfonic acid

Cyanoaceton
2469-99-0

Cyanoaceton

sodium 2-(2-(1-cyano-2-oxopropylidene)hydrazinyl)benzenesulfonate

sodium 2-(2-(1-cyano-2-oxopropylidene)hydrazinyl)benzenesulfonate

Conditions
ConditionsYield
Stage #1: 2-amino-1-benzenesulfonic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water at 0 - 5℃; for 1h;
Stage #2: Cyanoaceton With sodium acetate; sodium hydroxide In ethanol; water at 0℃; Japp-Klingemann Hydrazone Synthesis;
86%
Cyanoaceton
2469-99-0

Cyanoaceton

3-methyl-1-phenylpenta-3,4-dien-2-one
67515-50-8

3-methyl-1-phenylpenta-3,4-dien-2-one

6-hydroxy-2,4,5-trimethylbiphenyl-3-carbonitrile

6-hydroxy-2,4,5-trimethylbiphenyl-3-carbonitrile

Conditions
ConditionsYield
With caesium carbonate In acetonitrile at 80℃; for 4h;85%
Cyanoaceton
2469-99-0

Cyanoaceton

C18H22O3

C18H22O3

(R)-6-(tert-butyl)-4-(2-methoxyphenyl)-2-methyl-4H-chromene-3-carbonitrile

(R)-6-(tert-butyl)-4-(2-methoxyphenyl)-2-methyl-4H-chromene-3-carbonitrile

Conditions
ConditionsYield
Stage #1: Cyanoaceton; C18H22O3 With C44H45O4P In chloroform at 0℃; for 72h;
Stage #2: With toluene-4-sulfonic acid In chloroform for 4h; Reflux; enantioselective reaction;
85%
Cyanoaceton
2469-99-0

Cyanoaceton

4-methoxy-benzaldehyde
123-11-5

4-methoxy-benzaldehyde

2-(4-methoxybenzylidene)-3-oxobutanenitrile

2-(4-methoxybenzylidene)-3-oxobutanenitrile

Conditions
ConditionsYield
With D-Prolin In methanol; ethanol at 20℃; for 48h; Knoevenagel Condensation;84.6%
Cyanoaceton
2469-99-0

Cyanoaceton

N,N-dimethyl-formamide dimethyl acetal
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

(E/Z)-2-((dimethylamino)methylene)-3-oxobutanenitrile
885121-98-2

(E/Z)-2-((dimethylamino)methylene)-3-oxobutanenitrile

Conditions
ConditionsYield
at 25 - 80℃; for 1.5h;84%
In tetrahydrofuran at 20℃; for 16h; Inert atmosphere;80%
Cyanoaceton
2469-99-0

Cyanoaceton

C15H16O4

C15H16O4

C17H17NO3

C17H17NO3

Conditions
ConditionsYield
With C33H28F5N3O2; potassium carbonate In toluene at 0℃; for 48h; enantioselective reaction;83%
Cyanoaceton
2469-99-0

Cyanoaceton

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

2-(4-chlorobenzylidene)-3-oxobutanenitrile

2-(4-chlorobenzylidene)-3-oxobutanenitrile

Conditions
ConditionsYield
With D-Prolin In methanol; ethanol at 20℃; for 48h; Knoevenagel Condensation;82.3%
Cyanoaceton
2469-99-0

Cyanoaceton

4-hydrazinylisoquinoline
15330-50-4

4-hydrazinylisoquinoline

1-(isoquinolin-4-yl)-3-methyl-1H-pyrazol-5-amine
1452183-81-1

1-(isoquinolin-4-yl)-3-methyl-1H-pyrazol-5-amine

Conditions
ConditionsYield
In ethanol at 80℃; for 3h;81%
Stage #1: Cyanoaceton; 4-hydrazinylisoquinoline In ethanol at 80℃; for 3h;
Stage #2: With sodium hydroxide In ethanol; water at 80℃; for 1h;
81%
Cyanoaceton
2469-99-0

Cyanoaceton

1-chloro-4-(2,2-difluorovinyl)benzene
28321-09-7

1-chloro-4-(2,2-difluorovinyl)benzene

5-(4-chlorophenyl)-2-methylfuran-3-carbonitrile

5-(4-chlorophenyl)-2-methylfuran-3-carbonitrile

Conditions
ConditionsYield
With copper(l) iodide; caesium carbonate In dimethyl sulfoxide at 120℃; Inert atmosphere;81%
carbon disulfide
75-15-0

carbon disulfide

Cyanoaceton
2469-99-0

Cyanoaceton

1,2,3-tribromopropane
96-11-7

1,2,3-tribromopropane

2-(4-(bromomethyl)-1,3-dithiolan-2-ylidene)-3-oxobutanenitrile
889100-80-5

2-(4-(bromomethyl)-1,3-dithiolan-2-ylidene)-3-oxobutanenitrile

Conditions
ConditionsYield
Stage #1: carbon disulfide; Cyanoaceton With potassium carbonate In N,N-dimethyl-formamide at 20℃;
Stage #2: 1,2,3-tribromopropane In N,N-dimethyl-formamide at 0 - 20℃; Further stages.;
80%

2469-99-0Relevant articles and documents

Kinetic Evidence for the Intermediacy of 1-Azirines in the Gas-Phase Thermal Isomerization of 3H-Isoxazoles to α-Carbonylacetonitrile Derivatives

Perez, Jorge D.,Yranzo, Gloria I.,Wunderlin, Daniel A.

, p. 982 - 984 (1982)

Thermal isomerization of 5-methylisoxazole and 5-amino-4-methylisoxazole to acetylacetonitrile and 2-cyanopropionamide, respectively, was studied in a flow system.The activation parameters are reported.According to the experimental results, a concerted 1,3 sigmatropic shift to 1-azirines is proposed as the rate-limiting step in these reactions.A general reaction mechanism for the isomerization of isoxazoles into 1-azirines, oxazoles, and α-carbonylacetonitrile derivatives is discussed.

Design, synthesis, and in vitro anticancer screening of novel pyrazolinyl-pyrazole/1, 2, 3-triazole hybrids

Ismail, Magda M. F.,Abdulwahab, Hanan G.,Elnagdi, Mohamed H.

, p. 3584 - 3596 (2020)

Novel hybrids, pyrazolinylpyrazoles, and pyrazolinyltriazoles were designed, synthesized, and screened for their anticancer activity. Eleven compounds were selected by the National Cancer Institute (NCI)/USA for anticancer screening at single high dose (10?5 M) in full NCI 60 cell panels. Two compounds: 4-aminopyrazole-5-carbonitrile, 5c (NSC-747630/1) and ethyl 4-aminopyrazole-5- carboxylate, 7d (NSC-747634/1) were the most active candidates of the series and were selected for further evaluation at five dose screening as they displayed significant growth inhibition with full panel median growth inhibition (GI50) 5.47 and 2.24 μM, respectively. Both 5c and 7d hybrids exhibited broad spectrum antitumor activity; however 7d showed moderate selectivity (selectivity ratio 3.6) toward leukemia.

AMIDITE COMPOUND AND METHOD FOR PRODUCING POLYNUCLEOTIDE USING SAID COMPOUND

-

Paragraph 0173-0174, (2021/08/06)

The present invention provides an amidite compound represented by formula (1) which enables a synthesis of RNA with high purity, and the method for preparing a polynucleotide by using the same compound. (In the formula (1), wherein R represents the following formula (wherein Ra and Rb are identical to or different from each other and each represents a methyl group, an ethyl group, or a hydrogen atom, with the proviso that Ra and Rb does not represent a hydrogen atom, n is an integer of 1 to 5), and Ba represents a group containing optionally protected nucleobase structure, and G1 and G2 are identical to or different from each other and each represents a protecting group for a hydroxy group, and G3 are identical to or different from each other and each represents an alkyl group.

Identification of diphenylalkylisoxazol-5-amine scaffold as novel activator of cardiac myosin

Boggu, Pulla Reddy,Venkateswararao, Eeda,Manickam, Manoj,Sharma, Niti,Kang, Jong Seong,Jung, Sang-Hun

, (2020/09/16)

To identify novel potent cardiac myosin activator, a series of diphenylalkylisoxazol-5-amine compounds 4–7 have been synthesized and evaluated for cardiac myosin ATPase activation. Among the 37 compounds, 4a (CMA at 10 μM = 81.6%), 4w (CMA at 10 μM = 71.2%) and 6b (CMA at 10 μM = 67.4%) showed potent cardiac myosin activation at a single concentration of 10 μM. These results suggested that the introduction of the amino-isoxazole ring as a bioisostere for urea group is acceptable for the cardiac myosin activation. Additional structure–activity relationship (SAR) studies were conducted. Para substitution (-Cl, –OCH3, -SO2N(CH3)2) to the phenyl rings or replacement of a phenyl ring with a heterocycle (pyridine, piperidine and tetrahydropyran) appeared to attenuate cardiac myosin activation at 10 μM. Additional hydrogen bonding acceptor next to the amino group of the isoxazoles did not enhance the activity. The potent isoxazole compounds showed selectivity for cardiac myosin activation over skeletal and smooth muscle myosin, and therefore these potent and selective isoxazole compounds could be considered as a new series of cardiac myosin ATPase activators for the treatment of systolic heart failure.

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