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VNPP433-3β

CAT: 0013-GTR19234077-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234077-02Size:50 mg
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Description
VNPP433-3β is a molecular glue degrader targeting the androgen receptor (AR), its splice variants, and Mnk1/2. It potently inhibits prostate cancer cell proliferation in vitro and demonstrates in vivo efficacy by suppressing tumor growth in a CWR22Rv1 xenograft model.
CAS Number
1630820-51-7
Field of Research
Cell Biology, Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
C[C@@]12[C@] ([C@]3 ([C@] (CC1) ([C@]4 (C) C (=CC3) C[C@H] (CC4) N5C=CN=C5) [H]) [H]) (CC=C2N6C=7C (N=C6) =CC=CC7) [H]
Molecular Formula
C29H34N4
Molecular Weight
438.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

VNPP433-3beta
CAS Number1630820-51-7
PubChem CID85468997
IUPAC Name1-[(3S,8R,9S,10R,13S,14S)-3-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]benzimidazole
Molecular FormulaC29H34N4
Molecular Weight438.6
XLogP5.6
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity849
SMILES
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=NC6=CC=CC=C65)C)N7C=CN=C7
InChI
InChI=1S/C29H34N4/c1-28-13-11-21(32-16-15-30-18-32)17-20(28)7-8-22-23-9-10-27(29(23,2)14-12-24(22)28)33-19-31-25-5-3-4-6-26(25)33/h3-7,10,15-16,18-19,21-24H,8-9,11-14,17H2,1-2H3/t21-,22-,23-,24-,28-,29-/m0/s1
InChIKey
LKIKZGJOIUJYGD-IRGTZXILSA-N
Chemical Structure
2D Structure
2D structure of VNPP433-3beta
CAS: 1630820-51-7
CID: 85468997
Formula: C29H34N4
MW: 438.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.6
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass438.27834710
Monoisotopic Mass438.27834710
Topological Polar Surface Area35.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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