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Details

Stereochemistry ACHIRAL
Molecular Formula C24H33N3O4.H3O4P
Molecular Weight 525.5317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of IVALTINOSTAT PHOSPHATE

SMILES

OP(O)(O)=O.CN(C)CCCNC(=O)C(\COC1=C2C=CC=CC2=CC=C1)=C\CCCCC(=O)NO

InChI

InChIKey=UOKSXAOZBSWROR-DOELHFPHSA-N
InChI=1S/C24H33N3O4.H3O4P/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22;1-5(2,3)4/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28);(H3,1,2,3,4)/b20-11+;

HIDE SMILES / InChI
CG-200745 is a novel inhibitor of histone deacetylases (HDACs), initially developed by CrystalGenomics, Inc for treatment of various hematological and solid cancers. Combinations of CG-200745 with SN38 (the active form of irinotecan), or oxaliplatin were more effective than the agents alone when used to inhibit the growth of HCT116 cells. The protein expressions of acetyl-H3, p21, caspase-3, -8, and -9, PARP, and XIAP were affected in a time- and dose-dependent manner in HCT116 cells treated with the CG-200745 alone or combined CG-200745 and SN-38. In HCT116 xenografts, the HDACI CG-200745 in combination with irinotecan dramatically inhibited tumor growth without showing additive toxicity.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

mice 30 mg/kg, 5 days/week
Route of Administration: Oral
Name Type Language
IVALTINOSTAT PHOSPHATE
Common Name English
2-OCTENEDIAMIDE, N1-(3-(DIMETHYLAMINO)PROPYL)-N8-HYDROXY-2-((1-NAPHTHALENYLOXY)METHYL)-, (2E)-, PHOSPHATE (1:1)
Systematic Name English
CG-745
Code English
(E)-N1-(3-(DIMETHYLAMINO)PROPYL)-N8-HYDROXY-2-((NAPHTHALEN-1-YLOXY)METHYL)OCT-2-ENEDIAMIDE PHOSPHATE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 699019
Created by admin on Sat Dec 16 16:13:53 GMT 2023 , Edited by admin on Sat Dec 16 16:13:53 GMT 2023
Code System Code Type Description
FDA UNII
QA3Y8EZG57
Created by admin on Sat Dec 16 16:13:53 GMT 2023 , Edited by admin on Sat Dec 16 16:13:53 GMT 2023
PRIMARY
PUBCHEM
146048056
Created by admin on Sat Dec 16 16:13:53 GMT 2023 , Edited by admin on Sat Dec 16 16:13:53 GMT 2023
PRIMARY
CAS
2173017-02-0
Created by admin on Sat Dec 16 16:13:53 GMT 2023 , Edited by admin on Sat Dec 16 16:13:53 GMT 2023
PRIMARY