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VPC-13163

CAT: 0931-T29110-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T29110-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6637-10-1
Target
Androgen Receptor, Others
Related Pathways
Endocrinology/Hormones, Others
Purity
0.985
Bioactivity
VPC-13163 (NSC-52361) has strong anti-proliferative activity against LNCaP and Enzalutamide-resistant prostate cancer cell lines (MR49F) whereas it did not affect the growth of AR independent PC3 cell line. It also inhibits Prostate Specific Antigen (PSA) in both LNCaP and MR49F and reduces expression of AR target genes, PSA and TMPRSS2. These findings suggest that VPC-13566 exhibits AR BF3 specific mechanism of action.
Smiles
C=1(C=2C(NC1)=CC=CC2)C3CC=4C(N3)=CC=CC4
Molecular Formula
C16H14N2
Molecular Weight
234.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(2,3-dihydro-1H-indol-2-yl)-1H-indole

has antiandrogen activity; structure in first source

CAS Number6637-10-1
PubChem CID243118
IUPAC Name3-(2,3-dihydro-1H-indol-2-yl)-1H-indole
Molecular FormulaC16H14N2
Molecular Weight234.29
XLogP3.6
Topological Polar Surface Area27.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity303
SMILES
C1C(NC2=CC=CC=C21)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H14N2/c1-3-7-14-11(5-1)9-16(18-14)13-10-17-15-8-4-2-6-12(13)15/h1-8,10,16-18H,9H2
InChIKey
OGXXVLOAJZDVFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,3-dihydro-1H-indol-2-yl)-1H-indole
CAS: 6637-10-1
CID: 243118
Formula: C16H14N2
MW: 234.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.29
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass234.115698455
Monoisotopic Mass234.115698455
Topological Polar Surface Area27.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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