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BMS-737

CAT: 0931-T88251-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88251-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1356053-63-8
Target
Cytochromes P450
Related Pathways
Metabolism
Bioactivity
BMS-737 (compound 33), a non-steroidal, reversible small molecule inhibitor, demonstrates 11-fold selectivity for CYP17 lyase over CYP17 hydroxylase. This compound is engineered to target castration-resistant prostate cancer (CRPC) and effectively lowers testosterone levels, while maintaining stable orrodermal hormone and glucocorticoid levels.
Smiles
FC1=CC=C(C=C1)N2N=CC=3C2=NC=CC3C=4C=NC=NC4N
Molecular Formula
C16H11FN6
Molecular Weight
306.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrimidin-4-amine
CAS Number1356053-63-8
PubChem CID56603071
IUPAC Name5-[1-(4-fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]pyrimidin-4-amine
Molecular FormulaC16H11FN6
Molecular Weight306.30
XLogP2.2
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity402
SMILES
C1=CC(=CC=C1N2C3=NC=CC(=C3C=N2)C4=CN=CN=C4N)F
InChI
InChI=1S/C16H11FN6/c17-10-1-3-11(4-2-10)23-16-14(8-22-23)12(5-6-20-16)13-7-19-9-21-15(13)18/h1-9H,(H2,18,19,21)
InChIKey
OEVSKJAZBGCGII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrimidin-4-amine
CAS: 1356053-63-8
CID: 56603071
Formula: C16H11FN6
MW: 306.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.30
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass306.10292254
Monoisotopic Mass306.10292254
Topological Polar Surface Area82.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity402
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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HY-161700BMS-737
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