AT-101 acetic acid

• CAT Number: I005214
• CAS Number: 866541-93-7
• Molecular Formula: C30H30O8.C2H4O2
• Molecular Weight: 578.61
• Purity: ≥95%
• Target: Autophagy
• Solubility: DMSO; Methanol: ≤ 7.75 mg/mL
• Storage: 3 years -20℃ powder
• IC50: 0.32/0.48/0.18 uM for Bcl-2/Bcl-xL/Mcl-1
• IUPAC Name: acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
• InChI: 1S/C30H30O8.C2H4O2/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)
• InChIKey: NIOHNDKHQHVLKA-UHFFFAOYSA-N
• 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

AT-101 acetic acid (CAT: I005214) is the R-(-) enantiomer of gossypol acetic acid. It exhibits binding affinity to Bcl-2, Bcl-xL, and Mcl-1 with Ki values of 0.32 μM, 0.48 μM, and 0.18 μM, respectively. AT-101 is an orally bioavailable BH3 mimetic that interacts with the hydrophobic surface binding groove BH3 of anti-apoptotic proteins, inhibiting their heterodimerization with pro-apoptotic members of the Bcl-2 family. By doing so, it can impede tumor cell proliferation and induce apoptosis. In vitro, studies have shown that AT-101 activates caspase-9 and induces apoptosis in various cancer cell lines, including drug-resistant and multiple myeloma cells. In vivo, AT-101 delays the onset of androgen-independent growth in VCaP prostate cancer xenografts.