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GDC-2992

CAT: 1568-C04929-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C04929-1mgSize:1 mg
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CAS Number
2753651-10-2
Synonyms
RO7656594
Target
Androgen Receptor
Applications
Endocrinology & Hormones
Molecular Formula
C45H51ClN8O5
Additionnal Information
GDC-2992 (RO7656594, Compound 28A) is an orally active degrader of androgen receptor (AR) with a DC50 of 2.7 nM. It binds to AR and cereblon (CRBN), inducing AR ubiquitination and degradation. GDC-2992 also inhibits cell proliferation in VCaP cells and exhibits potential to reduce treatment resistance and disease relapse in prostate cancer.

Chemical Information

N-(trans-3-(3-Chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl)-4-(4-((4-(2-((S)-2,6-dioxopiperidin-3-yl)-1-oxo-1,2-dihydrophthalazin-6-yl)piperazin-1-yl)methyl)piperidin-1-yl)benzamide
CAS Number2753651-10-2
PubChem CID169012814
IUPAC NameN-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxophthalazin-6-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
Molecular FormulaC45H51ClN8O5
Molecular Weight819.4
XLogP6.2
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count59
Formal Charge0
Complexity1640
SMILES
CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCN(CC5)C6=CC7=C(C=C6)C(=O)N(N=C7)[C@H]8CCC(=O)NC8=O)C
InChI
InChI=1S/C45H51ClN8O5/c1-44(2)42(45(3,4)43(44)59-34-11-7-30(25-47)36(46)24-34)50-39(56)29-5-8-32(9-6-29)52-17-15-28(16-18-52)27-51-19-21-53(22-20-51)33-10-12-35-31(23-33)26-48-54(41(35)58)37-13-14-38(55)49-40(37)57/h5-12,23-24,26,28,37,42-43H,13-22,27H2,1-4H3,(H,50,56)(H,49,55,57)/t37-,42?,43?/m0/s1
InChIKey
PAELKDHSDBUTGE-CWFKGWKDSA-N
Chemical Structure
2D Structure
2D structure of N-(trans-3-(3-Chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl)-4-(4-((4-(2-((S)-2,6-dioxopiperidin-3-yl)-1-oxo-1,2-dihydrophthalazin-6-yl)piperazin-1-yl)methyl)piperidin-1-yl)benzamide
CAS: 2753651-10-2
CID: 169012814
Formula: C45H51ClN8O5
MW: 819.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight819.4
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass818.3670945
Monoisotopic Mass818.3670945
Topological Polar Surface Area151 Ų
Heavy Atom Count59
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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