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Chemical structure of Gossypol Acetic Acid

GC34096

Gossypol Acetic Acid

Also listed as (R)-(-)-Gossypol acetic acid (AT-101 (acetic acid))

(R)-(-)-Gossypol acetic acid (AT-101 (acetic acid)) (AT-101 (acetic acid)) is the levorotatory isomer of a natural product Gossypol· AT-101 is determined to bind to Bcl-2, Mcl-1 and Bcl-xL proteins with Kis of 260±30 nM, 170±10 nM, and 480±40 nM, respectively

ChemicalCAS866541-93-7MW578.61FormulaC32H34O10
CAS number
866541-93-7
Molecular weight
578.61
Formula
C32H34O10
Solubility
DMSO ： 39·33 mg/mL (67·97 mM)
InChIKey
NIOHNDKHQHVLKA-UHFFFAOYSA-N
Catalogue number
GC34096
Brand
GLPBIO
Computed properties PubChem CID 227456 · TPSA 193 Ų · H-bond donors 7 · H-bond acceptors 10
TPSA
193 Ų
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
42

SMILES CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O

Computed descriptors from PubChem (CID 227456), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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