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VPC-13789

CAT: 0013-GTR19186875-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186875-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VPC-13789 is a potent, selective, and orally bioavailable antiandrogen, demonstrating promise for castration-resistant prostate cancer (CRPC) research. It inhibits androgen receptor transcriptional activity in LNCaP cells with an IC50 of 0.19 μM. Its profile supports investigation in both in vitro mechanistic studies and in vivo xenograft models for therapeutic development.
CAS Number
2761146-51-2
Field of Research
Metabolism Research
Smiles
FC1=C2C (C (=CN2) C3=NC4=C (C=C3) C (C (NC (C) C) =O) =CC=C4) =CC (F) =C1F
Molecular Formula
C21H16F3N3O
Molecular Weight
383.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
CAS Number2761146-51-2
PubChem CID163321994
IUPAC NameN-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
Molecular FormulaC21H16F3N3O
Molecular Weight383.4
XLogP4.4
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity577
SMILES
CC(C)NC(=O)C1=C2C=CC(=NC2=CC=C1)C3=CNC4=C(C(=C(C=C34)F)F)F
InChI
InChI=1S/C21H16F3N3O/c1-10(2)26-21(28)12-4-3-5-16-11(12)6-7-17(27-16)14-9-25-20-13(14)8-15(22)18(23)19(20)24/h3-10,25H,1-2H3,(H,26,28)
InChIKey
FMNAWYZSFUYYRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
CAS: 2761146-51-2
CID: 163321994
Formula: C21H16F3N3O
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass383.12454663
Monoisotopic Mass383.12454663
Topological Polar Surface Area57.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity577
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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