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97004-04-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 97004-04-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,7,0,0 and 4 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 97004-04:
(7*9)+(6*7)+(5*0)+(4*0)+(3*4)+(2*0)+(1*4)=121
121 % 10 = 1
So 97004-04-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2

97004-04-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (L19283)  5-Aminomethyl-2-chloropyridine, 97%   

  • 97004-04-1

  • 1g

  • 604.0CNY

  • Detail
  • Alfa Aesar

  • (L19283)  5-Aminomethyl-2-chloropyridine, 97%   

  • 97004-04-1

  • 5g

  • 2083.0CNY

  • Detail
  • Alfa Aesar

  • (L19283)  5-Aminomethyl-2-chloropyridine, 97%   

  • 97004-04-1

  • 25g

  • 6450.0CNY

  • Detail
  • Aldrich

  • (536008)  5-(Aminomethyl)-2-chloropyridine  97%

  • 97004-04-1

  • 536008-5G

  • 1,508.13CNY

  • Detail
  • Aldrich

  • (536008)  5-(Aminomethyl)-2-chloropyridine  97%

  • 97004-04-1

  • 536008-25G

  • 5,185.44CNY

  • Detail

97004-04-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Aminomethyl-2-chloropyridine

1.2 Other means of identification

Product number -
Other names 5-(Aminomethyl)-2-chloropyridine

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:97004-04-1 SDS

97004-04-1Synthetic route

1,3,5-tris[(2-chloropyridin-5-yl)methyl]-1,3,5-perhydrotriazine
1080018-12-7

1,3,5-tris[(2-chloropyridin-5-yl)methyl]-1,3,5-perhydrotriazine

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

Conditions
ConditionsYield
Stage #1: 1,3,5-tris[(2-chloropyridin-5-yl)methyl]-1,3,5-trihydrotriazine With hydrogenchloride; water In methanol at 75 - 80℃; for 6h;
Stage #2: With sodium hydroxide In methanol; chloroform; water
95%
Stage #1: 1,3,5-tris[(2-chloropyridin-5-yl)methyl]-1,3,5-trihydrotriazine With hydrogenchloride In methanol at 75 - 80℃; for 6h;
Stage #2: With sodium hydroxide In methanol; chloroform; water Product distribution / selectivity;
95%
3-Aminomethylpyridine
3731-52-0

3-Aminomethylpyridine

phosgene
75-44-5

phosgene

sodium tungstate

sodium tungstate

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

Conditions
ConditionsYield
With sodium hydroxide; dihydrogen peroxide; trimethylamine In hydrogenchloride; chloroform; water87%
6-chloronicotinonitrile
33252-28-7

6-chloronicotinonitrile

A

3-Aminomethylpyridine
3731-52-0

3-Aminomethylpyridine

B

6-chloronicotinylaldehyde
23100-12-1

6-chloronicotinylaldehyde

C

bis(6-chloro-3-pyridylmethyl)amine

bis(6-chloro-3-pyridylmethyl)amine

D

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

Conditions
ConditionsYield
With ammonia; hydrogen; Sponge Ni In ethanol at 50℃; under 760 Torr; for 5h; Reduction;A 3%
B 5%
C 8%
D 75%
With ammonia; hydrogen; Sponge Ni In ethanol at 50℃; under 912 - 1064 Torr; for 9h; Product distribution; Further Variations:; Catalysts; Pressures; Temperatures; Reduction;A 2%
B 1%
C 2%
D 73%
With ammonia; hydrogen; Sponge Ni In ethanol at 50℃; under 912 - 1064 Torr; Reduction;A 2%
B 2%
C 2%
D 73%
With hydrogen; Raney Nickel R-100 In methanol; ammonium hydroxide at 25℃; under 760 Torr; for 9h; Product distribution; Further Variations:; Catalysts; Pressures; Solvents; Temperatures; Hydrogenation;A 11%
B 3%
C 17%
D 59%
6-chloronicotinonitrile
33252-28-7

6-chloronicotinonitrile

A

3-Aminomethylpyridine
3731-52-0

3-Aminomethylpyridine

B

bis(6-chloro-3-pyridylmethyl)amine

bis(6-chloro-3-pyridylmethyl)amine

C

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

Conditions
ConditionsYield
With ammonia; hydrogen; Sponge Ni In ethanol at 50℃; under 760 Torr; for 1.5h; Reduction;A 17%
B 3%
C 62%
2-chloro-5-(chloromethyl)pyridine
70258-18-3

2-chloro-5-(chloromethyl)pyridine

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

Conditions
ConditionsYield
With ammonium hydroxide; sodium hydroxide In acetonitrile
Multi-step reaction with 2 steps
1: N,N-dimethyl-formamide / 20 °C
2: hydrazine hydrate / ethanol / Reflux
View Scheme
Stage #1: 2-chloro-5-(chloromethyl)pyridine With hexamethylenetetramine In acetonitrile for 6.16667h; Reflux;
Stage #2: With hydrogenchloride In methanol; water at 60 - 100℃; for 4h; Temperature;
With sodium hydroxide In ethanol; acetonitrile
((2-chloro-5-pyridinyl)methyl)isoindol-1,3-dione
120739-60-8

((2-chloro-5-pyridinyl)methyl)isoindol-1,3-dione

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 5h; Reflux;
With hydrazine hydrate In ethanol Reflux;9.5 g
6-chloronicotinonitrile
33252-28-7

6-chloronicotinonitrile

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

Conditions
ConditionsYield
With potassium borohydride In ethanol at 25 - 40℃; for 2.25h;
With ammonia; hydrogen In methanol at 20℃; for 12h;
phthalimide
136918-14-4

phthalimide

2-chloro-5-(chloromethyl)pyridine
70258-18-3

2-chloro-5-(chloromethyl)pyridine

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 50℃;
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

(6-chloropyridin-3-ylmethyl)carbamic acid tert-butyl ester
285119-72-4

(6-chloropyridin-3-ylmethyl)carbamic acid tert-butyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;100%
With sodium hydroxide In dichloromethane at 20℃; for 16h;99%
With triethylamine In dichloromethane at 0 - 20℃; for 1h;98%
trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C8H6ClF3N2O
169506-55-2

C8H6ClF3N2O

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 1h;100%
6-chloro-3-nitro-2-(pyrrolidin-1-yl)pyridine
92741-40-7

6-chloro-3-nitro-2-(pyrrolidin-1-yl)pyridine

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

(6-chloro-pyridin-3-ylmethyl)-(5-nitro-6-pyrrolidin-1-yl-pyridin-2-yl)-amine
1246040-74-3

(6-chloro-pyridin-3-ylmethyl)-(5-nitro-6-pyrrolidin-1-yl-pyridin-2-yl)-amine

Conditions
ConditionsYield
With triethylamine In dimethyl sulfoxide at 150℃; for 0.333333h;100%
2-chloro-benzaldehyde
89-98-5

2-chloro-benzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H12Cl2N2

C13H12Cl2N2

Conditions
ConditionsYield
Stage #1: 2-chloro-benzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.333333h;
99.6%
3,4 difluorobenzaldehyde
34036-07-2

3,4 difluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11ClF2N2

C13H11ClF2N2

Conditions
ConditionsYield
Stage #1: 3,4 difluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.416667h;
99.1%
ethyl difluoroacetate
454-31-9

ethyl difluoroacetate

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

N-(2-chloro-5-aminomethylpyridine)-1,1-difluoroacetamide
1135440-09-3

N-(2-chloro-5-aminomethylpyridine)-1,1-difluoroacetamide

Conditions
ConditionsYield
at 100℃; for 1h; Reflux;99%
5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

2-fluoro-5-formylbenzonitrile
218301-22-5

2-fluoro-5-formylbenzonitrile

5-({[(6-chloropyridin-3-yl)methyl]amino}methyl)-2-fluorobenzonitrile

5-({[(6-chloropyridin-3-yl)methyl]amino}methyl)-2-fluorobenzonitrile

Conditions
ConditionsYield
Stage #1: 5-(aminomethyl)-2-chloropyridine; 2-fluoro-5-formylbenzonitrile In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.333333h;
98.6%
4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H12ClFN2

C13H12ClFN2

Conditions
ConditionsYield
Stage #1: 4-fluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.0833333h;
98.6%
3-bromo-4-fluorobenzaldehyde
77771-02-9

3-bromo-4-fluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11BrClFN2

C13H11BrClFN2

Conditions
ConditionsYield
Stage #1: 3-bromo-4-fluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.333333h;
98.1%
cyanoacetic acid
372-09-8

cyanoacetic acid

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

N-(6-chloro-pyridin-3-ylmethyl)-2-cyanoacetic acid amide
565214-73-5

N-(6-chloro-pyridin-3-ylmethyl)-2-cyanoacetic acid amide

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane97%
3-Chloro-4-fluorobenzaldehyde
34328-61-5

3-Chloro-4-fluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11Cl2FN2

C13H11Cl2FN2

Conditions
ConditionsYield
Stage #1: 3-Chloro-4-fluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.333333h;
96.7%
5-chloro-2-fluorobenzaldehyde
96515-79-6

5-chloro-2-fluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11Cl2FN2

C13H11Cl2FN2

Conditions
ConditionsYield
Stage #1: 5-chloro-2-fluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.5h;
96.7%
2,6-difluorobenzaldehyde
437-81-0

2,6-difluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11ClF2N2

C13H11ClF2N2

Conditions
ConditionsYield
Stage #1: 2,6-difluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.416667h;
96.4%
4-fluoro-3-nitrobenzaldehyde
42564-51-2

4-fluoro-3-nitrobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11ClFN3O2

C13H11ClFN3O2

Conditions
ConditionsYield
Stage #1: 4-fluoro-3-nitrobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃;
96.4%
3,4,5-trifluorobenzaldehyde

3,4,5-trifluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H10ClF3N2

C13H10ClF3N2

Conditions
ConditionsYield
Stage #1: 3,4,5-trifluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 1.2h;
96.2%
thiophene-2-carbaldehyde
98-03-3

thiophene-2-carbaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C11H11ClN2S

C11H11ClN2S

Conditions
ConditionsYield
Stage #1: thiophene-2-carbaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.333333h;
95.6%
2,3-difluorobenzaldehyde
2646-91-5

2,3-difluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11ClF2N2

C13H11ClF2N2

Conditions
ConditionsYield
Stage #1: 2,3-difluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.5h;
95.5%
4-fluoro-3-methylbenzaldehyde
135427-08-6

4-fluoro-3-methylbenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C14H14ClFN2

C14H14ClFN2

Conditions
ConditionsYield
Stage #1: 4-fluoro-3-methylbenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 1h;
95.2%
4-Trifluoromethylbenzaldehyde
455-19-6

4-Trifluoromethylbenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C14H12ClF3N2

C14H12ClF3N2

Conditions
ConditionsYield
Stage #1: 4-Trifluoromethylbenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 1h;
94.8%
perfluorobenzaldehyde
653-37-2

perfluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H8ClF5N2

C13H8ClF5N2

Conditions
ConditionsYield
Stage #1: perfluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 4h;
94.3%
2,2-difluoroacetaldehyde
430-69-3

2,2-difluoroacetaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

1-(6-chloropyridin-3-yl)-N-[(1E)-2,2-difluoroethylidene]methanamine
1245351-02-3

1-(6-chloropyridin-3-yl)-N-[(1E)-2,2-difluoroethylidene]methanamine

Conditions
ConditionsYield
In toluene at 20℃; for 1.33333h;93.8%
4-fluoro-2-methylbenzaldehyde
63082-45-1

4-fluoro-2-methylbenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C14H14ClFN2

C14H14ClFN2

Conditions
ConditionsYield
Stage #1: 4-fluoro-2-methylbenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.5h;
93.4%
5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

4-chloro-3-fluorobenzaldehyde
5527-95-7

4-chloro-3-fluorobenzaldehyde

C13H11Cl2FN2

C13H11Cl2FN2

Conditions
ConditionsYield
Stage #1: 5-(aminomethyl)-2-chloropyridine; 4-chloro-3-fluorobenzaldehyde In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.333333h;
93.3%
2-chloro-6-fluorobenzaldehyde
387-45-1

2-chloro-6-fluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11Cl2FN2

C13H11Cl2FN2

Conditions
ConditionsYield
Stage #1: 2-chloro-6-fluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 2h;
93.3%
3-nitro-benzaldehyde
99-61-6

3-nitro-benzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H12ClN3O2

C13H12ClN3O2

Conditions
ConditionsYield
Stage #1: 3-nitro-benzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.5h;
93.1%
2,4,6-trifluorobenzaldehyde
58551-83-0

2,4,6-trifluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H10ClF3N2

C13H10ClF3N2

Conditions
ConditionsYield
Stage #1: 2,4,6-trifluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.416667h;
92.8%
2-Fluorobenzaldehyde
446-52-6

2-Fluorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H12ClFN2

C13H12ClFN2

Conditions
ConditionsYield
Stage #1: 2-Fluorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 1h;
91.9%
3,4-dichlorobenzaldehyde
6287-38-3

3,4-dichlorobenzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H11Cl3N2

C13H11Cl3N2

Conditions
ConditionsYield
Stage #1: 3,4-dichlorobenzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃;
91.8%
4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

5-(aminomethyl)-2-chloropyridine
97004-04-1

5-(aminomethyl)-2-chloropyridine

C13H12BrClN2

C13H12BrClN2

Conditions
ConditionsYield
Stage #1: 4-bromo-benzaldehyde; 5-(aminomethyl)-2-chloropyridine In methanol at 20℃;
Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 0.0833333h;
91.5%

97004-04-1Relevant articles and documents

Fabrication of ω-Transaminase@Metal-Organic Framework Biocomposites for Efficiently Synthesizing Benzylamines and Pyridylmethylamines

Chen, Lina,Ding, Yingying,Jiao, Qingcai,Liu, Junzhong,Yu, Jinhai,Zhang, Hongjuan,Zong, Weilu

, (2021/11/05)

In this study, ten ω-transaminases (ω-TAs) have been investigated to efficiently catalyze the synthesis of twenty-four functionalized benzylamines and pyridylmethylamines. We optimized the reactions, screened suitable amino donors and compared ω-transaminases activities for all aromatic aldehyde substrates. Under the optimized conditions, eighteen aromatic amines have been obtained with 60.4%–96.6% conversions and isolated only via simple extraction and recrystallization with 18.5%–81% yields on a preparative scale. Furthermore, we first immobilized the Bm-STA onto the MOFs via the physical adsorption to overcome the limitation of free enzyme and improve their industrial applications. The obtained Bm-STA/UiO-66-NH2 composites exhibited not only high enzymes loading (80.4 mg g?1) and enzyme activity recovery (95.8%), but also the better reusability, storage stability, pH stability and the tolerance to acetone and DMF.

Small Molecule Inhibitors Simultaneously Targeting Cancer Metabolism and Epigenetics: Discovery of Novel Nicotinamide Phosphoribosyltransferase (NAMPT) and Histone Deacetylase (HDAC) Dual Inhibitors

Dong, Guoqiang,Chen, Wei,Wang, Xia,Yang, Xinglin,Xu, Tianying,Wang, Pei,Zhang, Wannian,Rao, Yu,Miao, Chaoyu,Sheng, Chunquan

, p. 7965 - 7983 (2017/10/18)

Cancer metabolism and epigenetics are among the most intensely pursued research areas in anticancer drug discovery. Here we report the first small molecules that simultaneously inhibit nicotinamide phosphoribosyltransferase (NAMPT) and histone deacetylase (HDAC), two important targets of cancer metabolism and epigenetics, respectively. Through iterative structure-based drug design, chemical synthesis, and biological assays, a highly potent dual NAMPT and HDAC inhibitor was successfully identified. Compound 35 possessed excellent and balanced activities against both NAMPT (IC50 = 31 nM) and HDAC1 (IC50 = 55 nM). It could effectively induce cell apoptosis and autophagy and ultimately led to cell death. Importantly, compound 35 showed excellent in vivo antitumor efficacy in the HCT116 xenograft model. This proof-of-concept study demonstrates the feasibility of discovering an inhibitor targeting cancer metabolism and epigenetics and provides an efficient strategy for multitarget antitumor drug discovery.

A N-(2 - (3 - (trifluoromethyl) phenoxy) - 4-pyridyl) a method for the synthesis of imines (by machine translation)

-

Paragraph 0004; 0007, (2016/11/02)

This invention involves a kind of N-(2 the [...] (3 the [...] (trifluoromethyl) phenoxy) - 4 the [...] pyridyl) methylimine synthesis method, which belongs to the field of chemical synthesis. Traditional production N-(2 the [...] (3 the [...] (trifluoromethyl) phenoxy) - 4 the [...] pyridyl) methylimine process backwardness, long flow path, the yield is low, a large amount of the three wastes, it is difficult to control. The present invention provides a mild reaction conditions, the high yield of N-(2 the [...] (3 the [...] (trifluoromethyl) phenoxy) - 4 the [...] pyridyl) methylimine synthetic method. (by machine translation)

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