Drug Details

General Information of the Drug (ID: DR2765)
Name
AT101
Synonyms
Gossypol acetic acid; gossypol-Acetic acid; 12542-36-8; Gossypol acetate; Acetate gossypol; 866541-93-7; Gossypol (acetic acid); (-)-Gossypol acetic acid; GOSSYPOL-ACETIC ACID COMPLEX; AT101; 5453-04-3; (S)-Gossypol (acetic acid); NSC 19048; 1189561-66-7; Gossypol acetic acid clathrate; MLS000028630; MLS002702979; NSC19048; SMR000058743; 12542-36-8 (ACETIC ACID); acetic acid compound with (S)-1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1:1); 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; (+/-)-Gossypol-acetic acid;BL 193 (acetic acid); (R)-Gossypol acetic acid; (S)-Gossypol acetic acid; NSC-19048; Gossypol acetate, (R)-; UNII-U9GNI6VT5N; Gossypol acetic acid, R-; AT-101 (acetic acid); R-(-)-gossypol acetic acid; Gossypol acetic acid, (R)-; Acetate-gossypol; Aceticacidgossypol; Gossypol xAcetate; Gossypol AcOH Salt; GOSSYPOLACETATE; AT 101 acetic acid; Opera_ID_1014; U9GNI6VT5N; SCHEMBL352576; (R)-Gossypol acetic acid salt; (S)-Gossypol acetic acid salt; CHEMBL1516388; HMS500I15; DTXSID90921593; HMS3651H13; BCP09006; BCP24040; C32H34O10; CCG-39212; CG0045; MFCD00058385; NSC727858; s2303; s2812; AKOS022188380; AT-101 (AT101); NSC-727858; NCGC00178279-01; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-(R)-5,5'-bis(1-methylethyl)-, (2R)-, compd. with acetic acid (1:1); AS-15487; HY-17510; P562; AB0017083; DB-081879; FT-0686636; FT-0768953; N2134; SW197103-3; A13578; A14795; A16323; 542G368; A800636; J-005228; (+/-)-Gossypol-acetic acid, analytical standard, crystalline complex consisting of equimolar quantities of gossypol and acetic acid, ~95%; 115038-46-5; 732279-26-4; acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthyl-8,8'-dicarbaldehyde (1:1); Acetic acid--1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1/1); acetic acid; 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-1-naphthalenecarboxaldehyde; AT 101 acetic acid; AT101 acetic acid;AT-101 acetic acid; (-)-Gossypol acetic acid; (R)-Gossypol acetic acid; Gossypol acetic acid; ethanoic acid; 7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde
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Molecular Type
Small molecule
Disease Prostate cancer [ICD-11: 2C82] Phase 2 [1]
Structure
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2D MOL

3D MOL

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Formula
C32H34O10
PubChem CID
227456
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.CC(=O)O
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
CAS Number
CAS 866541-93-7
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Reverse the Resistance of This Drug
          Demethoxycurcumin      Curcumin     Click to Show/Hide the Molecular Data of This NP
                 Reversing Drug Resistance     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Phosphorylation AKT1  Molecule Info 
Pathway MAP
                    In-vitro Model Cells derived from glioblastoma multiforme patients Glioblastoma multiforme Homo sapiens
                    Experimental
                    Result(s)		 Phosphorylation and thereby activation of the kinases p44/42 and Akt, which are involved in proliferation and survival processes, were inhibited, the mitochondrial membrane potential of the GBM cells was altered, and genes involved in dormancy-associated processes were regulated by the combined treatment strategy.
Target and Pathway
Target(s) Proteasome alpha 1 (PSMA1)  Molecule Info  [3]
Proteasome alpha 2 (PSMA2)  Molecule Info  [3]
Proteasome alpha 3 (PSMA3)  Molecule Info  [3]
References
Reference 1 ClinicalTrials.gov (NCT00286806) A Study of Single-Agent AT-101 in Men With Hormone Refractory Prostate Cancer
Reference 2 Combined treatment of AT101 and demethoxycurcumin yields an enhanced anti-proliferative effect in human primary glioblastoma cells. J Cancer Res Clin Oncol. 2020 Jan;146(1):117-126.
Reference 3 Synergism of arsenic trioxide and MG132 in Raji cells attained by targeting BNIP3, autophagy, and mitochondria with low doses of valproic acid and vincristine. Eur J Cancer. 2014 Dec;50(18):3243-61.
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