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BMS-737

CAT: 0013-GTR19233963-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233963-01Size:50 mg
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Description
BMS-737 (compound 33) is a selective, reversible small-molecule inhibitor of CYP17 lyase with 11-fold selectivity over hydroxylase. It is designed for CRPC research, effectively suppressing testosterone in preclinical models while sparing upstream adrenal steroidogenesis, making it a tool for studying advanced prostate cancer mechanisms.
CAS Number
1356053-63-8
Field of Research
Metabolism Research
Smiles
FC1=CC=C (C=C1) N2N=CC=3C2=NC=CC3C=4C=NC=NC4N
Molecular Formula
C16H11FN6
Molecular Weight
306.30
Storage Conditions
-20°C
Notes
For research use only.

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
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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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