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Chemical structure of HE-3235

GC14221

HE-3235

Also known as (3R,5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol

HE-3235, synthetic analogue of 3β-androstanediol, is an orally bioavailable anticancer agent· HE-3235 is active in rodent models of prostate and breast cancer

ChemicalCAS183387-50-0MW316.5FormulaC21H32O2
CAS number
183387-50-0
Molecular weight
316.5
Formula
C21H32O2
Solubility
≤10mg/ml in ethanol;10mg/ml in DMSO;10mg/ml in dimethyl formamide
InChIKey
CKAXZOYFIHQCBN-JRRMKBMNSA-N
Catalogue number
GC14221
Brand
GLPBIO
Computed properties PubChem CID 42611099 · XLogP 4.1 · TPSA 40.5 Ų · H-bond donors 2
XLogP
4.1
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23

SMILES C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O

Computed descriptors from PubChem (CID 42611099), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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