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BMS-214662 (mesylate)

CAT: 0804-HY-16111A1Size: 1 EachDry Ice: NoHazardous: No
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Description
BMS-214662 mesylate is a potent and selective farnesyl transferase inhibitor with an IC50 of 1.35 nM. BMS-214662 mesylate exhibits potent antitumor activity and can be utilized in cancer research[1].
CAS Number
474010-58-7
UNSPSC
12352005
Target
Farnesyl Transferase
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cancer
Smiles
CS(=O)(O)=O.O=S(N(CC1=CC(C#N)=CC=C1N(C2)CC3=CN=CN3)[C@@H]2CC4=CC=CC=C4)(C5=CC=CS5)=O
Molecular Formula
C26H27N5O5S3
Molecular Weight
585.72
References & Citations
[1]Hunt JT, et al. Discovery of (R) -7-cyano-2,3,4, 5-tetrahydro-1- (1H-imidazol-4-ylmethyl) -3- (phenylmethyl) -4- (2-thienylsulfonyl) -1H-1,4-benzodiazepine (BMS-214662), a farnesyltransferase inhibitor with potent preclinical antitumor activity. J Med Chem. 2000 Oct 5;43 (20) :3587-95.|[2]Rose WC, et al. Preclinical antitumor activity of BMS-214662, a highly apoptotic and novel farnesyltransferase inhibitor. Cancer Res. 2001 Oct 15;61 (20) :7507-17.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

BMS-214662 mesylate
CAS Number474010-58-7
PubChem CID72941825
IUPAC Name(3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile;methanesulfonic acid
Molecular FormulaC26H27N5O5S3
Molecular Weight585.7
Topological Polar Surface Area192
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity927
SMILES
CS(=O)(=O)O.C1[C@H](N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5
InChI
InChI=1S/C25H23N5O2S2.CH4O3S/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;1-5(2,3)4/h1-11,14,18,23H,12,15-17H2,(H,27,28);1H3,(H,2,3,4)/t23-;/m1./s1
InChIKey
GQZSWQUMYWWKTN-GNAFDRTKSA-N
Chemical Structure
2D Structure
2D structure of BMS-214662 mesylate
CAS: 474010-58-7
CID: 72941825
Formula: C26H27N5O5S3
MW: 585.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass585.11743250
Monoisotopic Mass585.11743250
Topological Polar Surface Area192 Ų
Heavy Atom Count39
Formal Charge0
Complexity927
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T204276-01BMS-214662 mesylate
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VHA98741-01BMS 214662
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A20948-100BMS-214662 100mg
A20948-50BMS-214662 50mg
A20948-25BMS-214662 25mg
A20948-10BMS-214662 10mg

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