BMV

3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE

Created:	2004-02-18
Last modified:	2021-03-01

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1 entries where BMV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	1
Bond Count	61
Aromatic Bond Count	22

2D diagram of BMV

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Chemical Component Summary
Name	3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE
Synonyms	BMS-214662
Systematic Name (OpenEye OEToolkits)	(3R,4R)-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile
Formula	C₂₅ H₂₃ N₅ O₂ S₂
Molecular Weight	489.612
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(N3C(Cc1ccccc1)CN(c2ccc(C#N)cc2C3)Cc4ncnc4)c5sccc5
SMILES	CACTVS	3.341	O=[S](=O)(N1Cc2cc(ccc2N(C[CH]1Cc3ccccc3)Cc4c[nH]cn4)C#N)c5sccc5
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC2CN(c3ccc(cc3CN2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5
Canonical SMILES	CACTVS	3.341	O=[S](=O)(N1Cc2cc(ccc2N(C[C@H]1Cc3ccccc3)Cc4c[nH]cn4)C#N)c5sccc5
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5
InChI	InChI	1.03	InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
InChIKey	InChI	1.03	OLCWFLWEHWLBTO-HSZRJFAPSA-N

Drug Info: DrugBank

DrugBank ID	DB12234
Name	BMS-214662
Groups	investigational
Description	BMS-214662 has been used in trials studying the treatment of Childhood Myelodysplastic Syndromes, Refractory Anemia With Excess Blasts, Recurrent Adult Acute Myeloid Leukemia, Relapsing Chronic Myelogenous Leukemia, and Adult Acute Promyelocytic Leukemia (M3), among others.
Synonyms	BMS-214662 hydrochloride BMS-214662 BMS-214662 mesylate
Categories	Benzazepines Heterocyclic Compounds, Fused-Ring
CAS number	195987-41-8

Related Resource References

Resource Name	Reference
PubChem	448545
ChEMBL	CHEMBL351706

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.