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Details

Stereochemistry ACHIRAL
Molecular Formula C25H26N8O
Molecular Weight 454.5269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIMITESPIB

SMILES

CCC1=C(C=CC(=C1)C(N)=O)N2N=C(C(C)C)C3=C2N=CC=C3N4C=NC(=C4)C5=CN(C)N=C5

InChI

InChIKey=NVVPMZUGELHVMH-UHFFFAOYSA-N
InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)

HIDE SMILES / InChI

Approval Year

Name Type Language
TAS-116
Preferred Name English
PIMITESPIB
INN  
Official Name English
pimitespib [INN]
Common Name English
BENZAMIDE, 3-ETHYL-4-(3-(1-METHYLETHYL)-4-(4-(1-METHYL-1H-PYRAZOL-4-YL)-1H-IMIDAZOL-1-YL)-1H-PYRAZOLO(3,4-B)PYRIDIN-1-YL)-
Systematic Name English
PIMITESPIB [JAN]
Common Name English
Pimitespib [WHO-DD]
Common Name English
3-ETHYL-4-(3-(1-METHYLETHYL)-4-(4-(1-METHYL-1H-PYRAZOL-4-YL)-1H-IMIDAZOL-1-YL)-1H-PYRAZOLO(3,4-B)PYRIDIN-1-YL)BENZAMIDE
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C134448
Created by admin on Sat Dec 16 12:07:05 UTC 2023 , Edited by admin on Sat Dec 16 12:07:05 UTC 2023
PRIMARY
DRUG BANK
DB14876
Created by admin on Sat Dec 16 12:07:05 UTC 2023 , Edited by admin on Sat Dec 16 12:07:05 UTC 2023
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MANUFACTURER PRODUCT INFORMATION
TAS-116
Created by admin on Sat Dec 16 12:07:05 UTC 2023 , Edited by admin on Sat Dec 16 12:07:05 UTC 2023
PRIMARY Description: TAS-116 showed activity against orthotopically transplanted NCI-H1975 lung tumors. Together, these data suggest that TAS-116 has a potential to maximize antitumor activity while minimizing adverse effects such as visual disturbances that are observed with other compounds of this class. For the detailed information of TAS-116, the solubility of TAS-116 in water, the solubility of TAS-116 in DMSO, the solubility of TAS-116 in PBS buffer, the animal experiment (test) of TAS-116, the cell expriment (test) of TAS-116, the in vivo, in vitro and clinical trial test of TAS-116, the EC50, IC50, and affinity, of TAS-116, For the detailed information of TAS-116, the solubility of TAS-116 in water, the solubility of TAS-116 in DMSO, the solubility of TAS-116 in PBS buffer, the animal experiment (test) of TAS-116, the cell expriment (test) of TAS-116, the in vivo, in vitro and clinical trial test of TAS-116, the EC50, IC50, and affinity, of TAS-116, Please contact DC Chemicals.
PUBCHEM
67501411
Created by admin on Sat Dec 16 12:07:05 UTC 2023 , Edited by admin on Sat Dec 16 12:07:05 UTC 2023
PRIMARY
SMS_ID
300000038118
Created by admin on Sat Dec 16 12:07:05 UTC 2023 , Edited by admin on Sat Dec 16 12:07:05 UTC 2023
PRIMARY
FDA UNII
PLO044MUDZ
Created by admin on Sat Dec 16 12:07:05 UTC 2023 , Edited by admin on Sat Dec 16 12:07:05 UTC 2023
PRIMARY
CAS
1260533-36-5
Created by admin on Sat Dec 16 12:07:05 UTC 2023 , Edited by admin on Sat Dec 16 12:07:05 UTC 2023
PRIMARY
INN
11079
Created by admin on Sat Dec 16 12:07:05 UTC 2023 , Edited by admin on Sat Dec 16 12:07:05 UTC 2023
PRIMARY