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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

Molecular Formula C24H33N3O4
Molecular Weight 427.5365
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
Effects of the HDAC inhibitor CG2 in combination with irinotecan, 5-fluorouracil, or oxaliplatin on HCT116 colon cancer cells and xenografts.
2010 Dec
Patents

Patents

Sample Use Guides

mice 30 mg/kg, 5 days/week
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Thu Jul 06 21:44:33 UTC 2023
Edited
by admin
on Thu Jul 06 21:44:33 UTC 2023
Record UNII
QA3Y8EZG57
Record Status Validated (UNII)
Record Version
  • Download
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 Thu Jul 06 21:44:33 UTC 2023 , Edited by admin on Thu Jul 06 21:44:33 UTC 2023
Code System Code Type Description
FDA UNII
QA3Y8EZG57
Created by admin on Thu Jul 06 21:44:33 UTC 2023 , Edited by admin on Thu Jul 06 21:44:33 UTC 2023
PRIMARY
PUBCHEM
146048056
Created by admin on Thu Jul 06 21:44:33 UTC 2023 , Edited by admin on Thu Jul 06 21:44:33 UTC 2023
PRIMARY
CAS
2173017-02-0
Created by admin on Thu Jul 06 21:44:33 UTC 2023 , Edited by admin on Thu Jul 06 21:44:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY