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Chemical structure of Apalutamide D4

GC60589

Apalutamide D4

Also known as 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1,1,3,3-tetradeuterio-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide

Apalutamide D4 (ARN-509 D4) is a deuterium labeled Apalutamide· Apalutamide is a potent and competitive androgen receptor (AR) antagonist, binding AR with an IC50 of 16 nM

ChemicalCAS1638885-65-0MW481.46FormulaC21H11D4F4N5O2S
CAS number
1638885-65-0
Molecular weight
481.46
Formula
C21H11D4F4N5O2S
InChIKey
HJBWBFZLDZWPHF-NZLXMSDQSA-N
Catalogue number
GC60589
Brand
GLPBIO
Computed properties PubChem CID 86342611 · XLogP 3 · TPSA 121 Ų · H-bond donors 1
XLogP
3
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
33

SMILES [2H]C1(CC(C12C(=O)N(C(=S)N2C3=CC(=C(C=C3)C(=O)NC)F)C4=CC(=C(N=C4)C#N)C(F)(F)F)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 86342611), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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