BMS-191095

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H21ClN4O2
Molecular Weight	408.881
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)OC2=C(C=C(C=C2)C#N)[C@@H]([C@H]1O)N(CC3=NC=CN3)C4=CC=C(Cl)C=C4

InChI

InChIKey=SMIKIPXIDLITMP-LEWJYISDSA-N

InChI=1S/C22H21ClN4O2/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16/h3-11,20-21,28H,13H2,1-2H3,(H,25,26)/t20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H21ClN4O2
Molecular Weight	408.881
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Mitochondrial complex V; ATP synthase 1 Target ID: CHEMBL612444 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14971888	Inhibitor 8297		480.0 nM [IC50]
Sulfonylurea receptors; K-ATP channels 11 Target ID: CHEMBL2095152 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24929852	Opener 34

PubMed

Title	Date	PubMed
Pharmacologic characterization of BMS-191095, a mitochondrial K(ATP) opener with no peripheral vasodilator or cardiac action potential shortening activity.	2001 Jun	11356945
Pharmacologic profile of the selective mitochondrial-K(ATP) opener BMS-191095 for treatment of acute myocardial ischemia.	2002 Summer	12177690
The mitochondrial K(ATP) channel opener BMS-191095 induces neuronal preconditioning.	2004 Feb 9	15076766
The mitochondrial K(ATP) channel opener BMS-191095 reduces neuronal damage after transient focal cerebral ischemia in rats.	2007 Feb	16736040

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:46:03 GMT 2023` Edited by `admin` on `Sat Dec 16 13:46:03 GMT 2023`
Record UNII	K6V527OYN8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-191095

Code

English

(3R,4S)-4-((4-CHLOROPHENYL)(1H-IMIDAZOL-2-YLMETHYL)AMINO)-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-CARBONITRILE

Systematic Name

English

2H-1-BENZOPYRAN-6-CARBONITRILE, 4-((4-CHLOROPHENYL)(1H-IMIDAZOL-2-YLMETHYL)AMINO)-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-, (3R,4S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

K6V527OYN8

Created by admin on Sat Dec 16 13:46:03 GMT 2023 , Edited by admin on Sat Dec 16 13:46:03 GMT 2023

PRIMARY

PUBCHEM

9822753

Created by admin on Sat Dec 16 13:46:03 GMT 2023 , Edited by admin on Sat Dec 16 13:46:03 GMT 2023

PRIMARY

CAS

166095-21-2

Created by admin on Sat Dec 16 13:46:03 GMT 2023 , Edited by admin on Sat Dec 16 13:46:03 GMT 2023

PRIMARY

Related Record Type Details


					3I2CFR0UVU

BMS-191095 HYDROCHLORIDE

SALT/SOLVATE -> PARENT