ChemicalBook--->CAS DataBase List--->836683-15-9

836683-15-9

836683-15-9 Structure

836683-15-9 Structure
IdentificationBack Directory
[Name]

Acumapimod (BCT-197)
[CAS]

836683-15-9
[Synonyms]

CS-2801
BCT-197
Acumapimod (BCT-197)
3-(5-Amino-4-(3-cyanobenzoyl)pyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
Benzamide, 3-[5-amino-4-(3-cyanobenzoyl)-1H-pyrazol-1-yl]-N-cyclopropyl-4-methyl-
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C22H19N5O2
[MDL Number]

MFCD28902244
[MOL File]

836683-15-9.mol
[Molecular Weight]

385.42
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:50.0(Max Conc. mg/mL);129.73(Max Conc. mM)
[form ]

A crystalline solid
[color ]

White to off-white
[InChI]

InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)
[InChIKey]

VGUSQKZDZHAAEE-UHFFFAOYSA-N
[SMILES]

C(NC1CC1)(=O)C1=CC=C(C)C(N2C(N)=C(C(=O)C3=CC=CC(C#N)=C3)C=N2)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H315-H317-H318-H334-H335-H341-H361-H370-H413
[Precautionary statements ]

P201-P202-P260-P264-P270-P271-P272-P273-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P321-P333+P313-P362-P403+P233-P405-P501
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

Acumapimod (BCT197) is an orally active p38 MAP kinase inhibitor, with an IC50 of less than 1 μM for p38α.
[in vivo]

Acumapimod is an oral low-molecular-weight p38 inhibitor currently in development for the treatment of several inflammatory conditions, including chronic obstructive pulmonary disease (COPD). Intermittent short-term dosing of Acumapimod (75 mg on days 1 and 6) shows a marked improvement in lung function in COPD patients[2].

[storage]

Store at -20°C
[References]

[1] Norman P, et al. Investigational p38 inhibitors for the treatment of chronic obstructive pulmonary disease. Expert Opin Investig Drugs. 2015 Mar;24(3):383-92. DOI:10.1517/13543784.2014.918604
[2] De Buck S, et al. Population PK-PD Model for Tolerance Evaluation to the p38 MAP Kinase Inhibitor BCT197. CPT Pharmacometrics Syst Pharmacol. 2015 Dec;4(12):691-700. DOI:10.1002/psp4.12037
Spectrum DetailBack Directory
[Spectrum Detail]

Acumapimod (BCT-197)(836683-15-9)1HNMR
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