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BMS-351

CAT: 0931-T70847-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70847-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1370001-71-0
Target
Cytochromes P450, Others
Related Pathways
Others, Metabolism
Bioactivity
BMS-351 is a potent and selective, nonsteroidal CYP17A1 lyase inhibitor with robust selectivity over steroidogenic CYPs 21A2 and 11B1. BMS-351 emerges as an outstanding preclinical candidate to treat CRPC and is likely to minimize the side effects of current therapies due to its exceptional selectivity. BMS-351 is potentially useful for the Treatment of Prostate Cancer.
Smiles
C(C(F)(F)F)N1C=2C(=C(C=CC2)C=3C(C)=CC=NC3)N=C1
Molecular Formula
C15H12F3N3
Molecular Weight
291.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(4-Methylpyridin-3-yl)-1-(2,2,2-trifluoroethyl)benzimidazole
CAS Number1370001-71-0
PubChem CID56949328
IUPAC Name4-(4-methyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)benzimidazole
Molecular FormulaC15H12F3N3
Molecular Weight291.27
XLogP3.4
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity361
SMILES
CC1=C(C=NC=C1)C2=C3C(=CC=C2)N(C=N3)CC(F)(F)F
InChI
InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
InChIKey
OFFVLUDFSIUVMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Methylpyridin-3-yl)-1-(2,2,2-trifluoroethyl)benzimidazole
CAS: 1370001-71-0
CID: 56949328
Formula: C15H12F3N3
MW: 291.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.27
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass291.09833188
Monoisotopic Mass291.09833188
Topological Polar Surface Area30.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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