Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Omecamtiv mecarbil

Related Products

Hot Products

Name

Omecamtiv mecarbil

EINECS N/A
CAS No. 873697-71-3 Density 1.344 g/cm3
PSA 90.29000 LogP 3.01950
Solubility 40.25mg/L at 25℃ Melting Point 180℃
Formula C20H24FN5O3 Boiling Point 456.78 °C at 760 mmHg
Molecular Weight 401.441 Flash Point 230.052 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 873697-71-3 (Omecamtiv mecarbil) Hazard Symbols N/A
Synonyms

CK 1827452;UNII-2M19539ERK;Methyl 4-((2-fluoro-3-(((6-methylpyridin-3-yl)carbamoyl)amino)phenyl)methyl) piperazine-1-carboxylate;

Article Data 11

Omecamtiv mecarbil Synthetic route

732245-99-7

5-isocyanato-2-methylpyridine

873697-70-2

methyl 4-(3-amino-2-fluorobenzyl)piperazine-1-carboxylate

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
In acetone at 20℃; Heating/reflux;86%
In acetone at 20℃; Heating / reflux;86%
In acetone at 20℃; for 6.65h; Heating / reflux;86%
In acetone at 20℃; Heating / reflux;73%
In acetone for 6.5h; Heating / reflux;73%
873697-70-2

methyl 4-(3-amino-2-fluorobenzyl)piperazine-1-carboxylate

1628206-34-7

phenyl (6-methylpyridin-3-yl)carbamate hydrochloride

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; acetonitrile at 57℃; for 21h; Industrial scale;82%
With N-ethyl-N,N-diisopropylamine In acetonitrile at 55℃; for 18h;47 g
80287-53-2, 3430-14-6

5-Amino-2-methylpyridine

C20H22FN3O4

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
In toluene at 80℃; for 15h; Inert atmosphere;81%
873697-70-2

methyl 4-(3-amino-2-fluorobenzyl)piperazine-1-carboxylate

C13H12N2O2*(x)ClH

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; acetonitrile80%
732245-99-7

5-isocyanato-2-methylpyridine

942224-53-5

tert-butyl 4-(3-amino-2-fluorobenzyl)piperazine-1-carboxylate

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
In acetone at 20℃; for 5.65h; Heating / reflux;73%
3430-13-5

5-bromo-2-methylpyridine

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: t-BuBrettPhos; palladium diacetate; caesium carbonate / tetrahydrofuran; water / 2 h / 85 °C / Inert atmosphere
2: hydrogenchloride; palladium on carbon; hydrogen / methanol; water / 20 h / 20 °C / 760.05 Torr
3: t-BuBrettPhos; palladium diacetate; caesium carbonate / tetrahydrofuran; water / Inert atmosphere; Heating
View Scheme

1-(bromomethyl)-3-chloro-2-fluorobenzene

50606-31-0

methyl piperazine-1-carboxylate

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 1.25 h / 20 °C / Inert atmosphere
2: t-BuBrettPhos; palladium diacetate; caesium carbonate / tetrahydrofuran; water / Inert atmosphere; Heating
View Scheme

C14H15N3O

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride; palladium on carbon; hydrogen / methanol; water / 20 h / 20 °C / 760.05 Torr
2: t-BuBrettPhos; palladium diacetate; caesium carbonate / tetrahydrofuran; water / Inert atmosphere; Heating
View Scheme
1309439-44-8

(2-methylpyridin-5-yl)urea

1309439-45-9

methyl 4-(3-chloro-2-fluorobenzyl)piperazine-1-carboxylate

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
With t-BuBrettPhos; palladium diacetate; caesium carbonate In tetrahydrofuran; water Inert atmosphere; Heating;253 mg

1-(bromomethyl)-3-chloro-2-fluorobenzene

873697-71-3

methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 6 h / 20 °C / Inert atmosphere
2: tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; triethylamine / toluene / 16 h / 120 °C / Inert atmosphere
3: toluene / 15 h / 80 °C / Inert atmosphere
View Scheme

Omecamtiv mecarbil Specification

The Omecamtiv mecarbil, also known as CK 1827452, is an organic compound with the formula C20H24FN5O3. With the CAS registry number 873697-71-3, its systematic name is methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate. This chemical's classification code is Treatment of Heart Failure; a Cardiac Inotrope. What's more, it is a cardiac specific myosin activator. It is clinically tested for its role in the treatment of left ventricular systolic heart failure.

Physical properties of Omecamtiv mecarbil: (1)ACD/LogP: 1.40; (2)#H bond acceptors: 8; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Index of Refraction: 1.639; (6)Molar Refractivity: 107.427 cm3; (7)Molar Volume: 298.625 cm3; (8)Surface Tension: 64.952 dyne/cm; (9)Density: 1.344 g/cm3; (10)Flash Point: 230.052 °C; (11)Enthalpy of Vaporization: 71.679 kJ/mol; (12)Boiling Point: 456.78 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(nc1)C)Nc2c(F)c(ccc2)CN3CCN(C(=O)OC)CC3
(2)InChI: InChI=1/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)
(3)InChIKey: RFUBTTPMWSKEIW-UHFFFAOYAF

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 873697-71-3