MITAPIVAT SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C24H26N4O3S.3H2O.H2O4S
Molecular Weight	1053.231
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.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=DMRIPASJCJRBMV-UHFFFAOYSA-N

InChI=1S/2C24H26N4O3S.H2O4S.3H2O/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);3*1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
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

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

Description
Sources: https://www.google.com/patents/WO2011002817A1
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.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Pyruvate kinase isozymes M1/M2 12 Target ID: CHEMBL1075189 Sources: https://www.google.com/patents/WO2011002817A1	Activator 1430

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

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 09:59:47 UTC 2023` Edited by `admin` on `Sat Dec 16 09:59:47 UTC 2023`
Record UNII	N4JTA67V3O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MITAPIVAT SULFATE

Official Name

English

MITAPIVAT HEMISULFATE SESQUIHYDRATE

Common Name

English

PYRUKYND

Brand Name

English

AG-348 SULFATE HYDRATE

Code

English

8-QUINOLINESULFONAMIDE, N-(4-((4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL)CARBONYL)PHENYL)-, SULFATE, HYDRATE (2:1:3)

Systematic Name

English

N-{4-[4-(Cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide sulfate hydrate (2:1:3)

Systematic Name

English

AG-348 HEMISULFATE SESQUIHYDRATE

Code

English

MITAPIVAT SULFATE [USAN]

Common Name

English

Mitapivat hemisulfate sesquihydrate [WHO-DD]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

442814