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Chemical structure of SAR439859

GC61267

SAR439859

Also known as 6-(2,4-dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid

SAR439859 (compound 43d) is an orally active, nonsteroidal and selective estrogen receptor degrader (SERD)· SAR439859 is a potent ER antagonist and has ER degrading activity with an EC50 of 0·2 nM for ERα degradation· SAR439859 demonstrates robust antitumor efficacy and limited cross-resistance in ER+ breast cancer

ChemicalCAS2114339-57-8MW554.48FormulaC31H30Cl2FNO3
CAS number
2114339-57-8
Molecular weight
554.48
Formula
C31H30Cl2FNO3
Solubility
DMSO： 125 mg/mL (225·44 mM)
InChIKey
KISZAGQTIXIVAR-VWLOTQADSA-N
Catalogue number
GC61267
Brand
GLPBIO
Computed properties PubChem CID 130232326 · XLogP 5.3 · TPSA 49.8 Ų · H-bond donors 1
XLogP
5.3
TPSA
49.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38

SMILES C1CC2=C(C=CC(=C2)C(=O)O)C(=C(C1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)O[C@H]5CCN(C5)CCCF

Computed descriptors from PubChem (CID 130232326), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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