Gossypol

Base Information

• Chemical Name: Gossypol
• CAS No.: 90141-22-3
• Deprecated CAS: 732279-01-5,40112-23-0,123732-23-0,40112-23-0
• Molecular Formula: C30H30 O8
• Molecular Weight: 518.5544
• European Community (EC) Number: 636-899-7
• NSC Number: 728875,726190,624336,56817
• UNII: 8DY2X8LXW4,XNA7DR63CQ,KAV15B369O
• DSSTox Substance ID: DTXSID5023110
• Nikkaji Number: J126.059F,J2.536.108C,J2.536.109A,J858.559H,J21.393D
• Wikipedia: Gossypol
• Wikidata: Q411882
• NCI Thesaurus Code: C529
• Pharos Ligand ID: 729J55RF7KWH
• Metabolomics Workbench ID: 28312
• ChEMBL ID: CHEMBL51483
• Mol file: 90141-22-3.mol

Synonyms:Dipotassium Salt, Gossypol;Gossypol;Gossypol Dipotassium Salt;Gossypol Sodium Salt;Gossypol, (+)-Isomer;Gossypol, (+-)-Isomer;Gossypol, (-)-Isomer;Sodium Salt, Gossypol

Chemical Property of Gossypol

Chemical Property:

• Melting Point: 166-167℃
• Boiling Point: 707.9 ºCat 760 mmHg
• PKA: 7.15±0.50(Predicted)
• Flash Point: 395.9ºC
• PSA: 155.52000
• Density: 1.403 g/cm3
• LogP: 6.38220
• Storage Temp.: Store at -20°C
• Solubility.: DMSO: soluble15mg/mL, clear
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 518.19406791
• Heavy Atom Count: 38
• Complexity: 780

Purity/Quality:

98%,99%, ^*data from raw suppliers

AT101 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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
• Recent ClinicalTrials: Safety, Tolerability, and Efficacy of AT101 in Patients With Relapsed or Refractory B-cell Non-Hodgkin's Lymphoma
• Description: AT-101 (90141-22-3) is a small molecule mimic of the BH3 domain of cellular Bcl-2 inhibitors which interferes with the function of Bcl-2-family antiapoptotic proteins. AT-101 induces apoptosis in drug-resistant multiple myeloma cell lines. Apoptosis is activated by the mitochondrial pathway. Cell permeable.
• Uses: AT-101 is a BH3 mimetic known to be a potent inhibitor of antiapoptotic Bcl-2 family members.