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Details

Stereochemistry ACHIRAL
Molecular Formula 2C24H26N4O3S.H2O4S
Molecular Weight 999.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MITAPIVAT SULFATE ANHYDROUS

SMILES

OS(O)(=O)=O.O=C(N1CCN(CC2CC2)CC1)C3=CC=C(NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)C=C3.O=C(N6CCN(CC7CC7)CC6)C8=CC=C(NS(=O)(=O)C9=CC=CC%10=C9N=CC=C%10)C=C8

InChI

InChIKey=XNNUNDNGUZFBHS-UHFFFAOYSA-N
InChI=1S/2C24H26N4O3S.H2O4S/c2*29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22;1-5(2,3)4/h2*1-5,8-12,18,26H,6-7,13-17H2;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H26N4O3S
Molecular Weight 450.553
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including http://www.medkoo.com/products/12088

Mitapivat, also known as PKM2 activator 1020, is an activator of a pyruvate kinase PKM2, an enzyme involved in glycolysis. It was disclosed in a patent publication WO 2011002817 A1 as compound 78.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
Activity of PKM2 was measured as changes in absorbance at 350 nm. Reaction mix contained compound, PKM2, ADP, PEP, NADH and LDH prepared in reaction buffer.
Substance Class Chemical
Created
by admin
on Sat Dec 16 14:26:52 UTC 2023
Edited
by admin
on Sat Dec 16 14:26:52 UTC 2023
Record UNII
KM3KSE3QH9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MITAPIVAT SULFATE ANHYDROUS
USAN  
Common Name English
8-QUINOLINESULFONAMIDE, N-(4-((4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL)CARBONYL)PHENYL)-, SULFATE (2:1)
Systematic Name English
MITAPIVAT HEMISULFATE
Common Name English
Code System Code Type Description
FDA UNII
KM3KSE3QH9
Created by admin on Sat Dec 16 14:26:53 UTC 2023 , Edited by admin on Sat Dec 16 14:26:53 UTC 2023
PRIMARY
CAS
2329710-91-8
Created by admin on Sat Dec 16 14:26:53 UTC 2023 , Edited by admin on Sat Dec 16 14:26:53 UTC 2023
PRIMARY
PUBCHEM
139593419
Created by admin on Sat Dec 16 14:26:53 UTC 2023 , Edited by admin on Sat Dec 16 14:26:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY