InterPAD - DETAILS

Gossypol acetic acid, 12542-36-8, gossypol-Acetic acid, Gossypol acetate, 866541-93-7, 5453-04-3, AT101, Gossypol (acetic acid), (S)-Gossypol (acetic acid), 1189561-66-7, (-)-Gossypol acetic acid, Gossypol acetate, (R)-, (R)-Gossypol acetic acid, Gossypol acetic acid, R-, Gossypol acetic acid, (R)-, R-(-)-gossypol acetic acid, Gossypol acetic acid clathrate, (R)-(-)-Gossypol acetic acid, Acetate gossypol, NSC 19048, U9GNI6VT5N, 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, MLS000028630, MLS002702979, NSC19048, SMR000058743, 12542-36-8 (ACETIC ACID), NSC-19048, 115038-46-5, 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), (-)-GOSSYPOL; ACETIC ACID, (S)-Gossypol acetic acid, GOSSYPOLACETATE, (+/-)-Gossypol-acetic acid;BL 193 (acetic acid), UNII-U9GNI6VT5N, AT-101 (acetic acid), Acetate-gossypol, GossypolAcOHSalt, Aceticacidgossypol, Gossypol xAcetate, Gossypol AcOH Salt, AT 101 acetic acid, Opera_ID_1014, Gossypol acetic acid [MI], SCHEMBL352576, (R)-Gossypol acetic acid salt, CHEMBL1516388, Gossypol acetic acid [WHO-DD], HMS500I15, DTXSID90921593, HMS3651H13, BCP09006, BCP24040, CCG-39212, HY-15464A, MFCD00058385, NSC727858, s2303, s2812, AKOS022188380, AT-101 (AT101), CS-3859, NSC-727858, NCGC00178279-01, AC-34098, AS-15487, HY-17510, DB-081879, FT-0686636, FT-0768953, G0543, SW197103-3, F85115, F85296, ()-Gossypol-acetic acid;BL 193 (acetic acid), A900030, A920161, J-005228, 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde acetate salt, 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde - acetic acid (1:1), 732279-26-4, Acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde, Acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1:1), 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), aceticacid;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, AT 101 acetic acid; AT101 acetic acid;AT-101 acetic acid; (-)-Gossypol acetic acid; (R)-Gossypol acetic acid; Gossypol acetic acid

Name	AT101
PubChem CID	227456
Molecular Weight	578.6g/mol
Synonyms	Gossypol acetic acid, 12542-36-8, gossypol-Acetic acid, Gossypol acetate, 866541-93-7, 5453-04-3, AT101, Gossypol (acetic acid), (S)-Gossypol (acetic acid), 1189561-66-7, (-)-Gossypol acetic acid, Gossypol acetate, (R)-, (R)-Gossypol acetic acid, Gossypol acetic acid, R-, Gossypol acetic acid, (R)-, R-(-)-gossypol acetic acid, Gossypol acetic acid clathrate, (R)-(-)-Gossypol acetic acid, Acetate gossypol, NSC 19048, U9GNI6VT5N, 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, MLS000028630, MLS002702979, NSC19048, SMR000058743, 12542-36-8 (ACETIC ACID), NSC-19048, 115038-46-5, 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), (-)-GOSSYPOL; ACETIC ACID, (S)-Gossypol acetic acid, GOSSYPOLACETATE, (+/-)-Gossypol-acetic acid;BL 193 (acetic acid), UNII-U9GNI6VT5N, AT-101 (acetic acid), Acetate-gossypol, GossypolAcOHSalt, Aceticacidgossypol, Gossypol xAcetate, Gossypol AcOH Salt, AT 101 acetic acid, Opera_ID_1014, Gossypol acetic acid [MI], SCHEMBL352576, (R)-Gossypol acetic acid salt, CHEMBL1516388, Gossypol acetic acid [WHO-DD], HMS500I15, DTXSID90921593, HMS3651H13, BCP09006, BCP24040, CCG-39212, HY-15464A, MFCD00058385, NSC727858, s2303, s2812, AKOS022188380, AT-101 (AT101), CS-3859, NSC-727858, NCGC00178279-01, AC-34098, AS-15487, HY-17510, DB-081879, FT-0686636, FT-0768953, G0543, SW197103-3, F85115, F85296, ()-Gossypol-acetic acid;BL 193 (acetic acid), A900030, A920161, J-005228, 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde acetate salt, 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde - acetic acid (1:1), 732279-26-4, Acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde, Acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1:1), 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), aceticacid;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, AT 101 acetic acid; AT101 acetic acid;AT-101 acetic acid; (-)-Gossypol acetic acid; (R)-Gossypol acetic acid; Gossypol acetic acid
Drug Type	Small molecule
Formula	C₃₂H₃₄O₁₀
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	12542-36-8
ChEMBL ID	CHEMBL1516388
Toxicity	Organism	Test Type	Route(Dose)
Structure			Download 2D MOL 3D MOL

Pair Name	Demethoxycurcumin, AT101
Partner Name	Demethoxycurcumin
Disease Info	[ICD-11: 2A00]	Glioblastoma multiforme		Investigative
Gene Regulation	Up-regulation	Phosphorylation	AKT1	hsa207
In Vitro Model	PC-1 [Human pancreatic carcinoma]	Pancreatic ductal adenocarcinoma	Homo sapiens (Human)	CVCL_S969
	PC-2 [Human pancreatic carcinoma Germany]	Pancreatic carcinoma	Homo sapiens (Human)	CVCL_C1YF
	PC-3	Prostate carcinoma	Homo sapiens (Human)	CVCL_0035
Result	Combined treatment with different drugs might be an option to efficiently overcome chemoresistance of GBM cells in a long-term treatment strategy.