MITAPIVAT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H26N4O3S
Molecular Weight	450.553
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

O=C(N1CCN(CC2CC2)CC1)C3=CC=C(NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)C=C3

InChI

InChIKey=XAYGBKHKBBXDAK-UHFFFAOYSA-N

InChI=1S/C24H26N4O3S/c29-24(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/h1-5,8-12,18,26H,6-7,13-17H2

HIDE SMILES / InChI

Molecular Formula	C24H26N4O3S
Molecular Weight	450.553
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description

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	Activator 1,430

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2,578

Patents

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
Record UNII	2WTV10SIKH
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

MITAPIVAT

Official Name

English

8-QUINOLINESULFONAMIDE, N-(4-((4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL)CARBONYL)PHENYL)-

Systematic Name

English

N-(4-((4-(CYCLOPROPYLMETHYL)-1-PIPERAZINYL)CARBONYL)PHENYL)-8-QUINOLINESULFONAMIDE

Systematic Name

English

mitapivat [INN]

Common Name

English

PKR-IN-1

Common Name

English

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Classification Tree

Code System

Code

Designated

FDA ORPHAN DRUG

739920

Designated

FDA ORPHAN DRUG

781120

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Code System

Code

Type

Description

CAS

1260075-17-9

PRIMARY

RXCUI

2594468

PRIMARY

PUBCHEM

59634741

PRIMARY

INN

10226

PRIMARY

DAILYMED

2WTV10SIKH

PRIMARY

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Type

Details


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Comments:

P-gp–mediated transport of digoxin across Caco-2 cells

Qualification:

IC50

Amount:

12.8 MICROMOLAR (average)


					ZWU1WKR153

PYRUVATE KINASE PKM-2

TARGET -> ACTIVATOR

Comments:

519 % activation over baseline

Qualification:

EC50

Amount:

38 NANOMOLAR (average)


					D9SCP0G3HF

HISTAMINE H3 RECEPTOR

TARGET->INVERSE AGONIST

Qualification:

IC50

Amount:

0.012 MICROMOLAR (average)


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Amount:


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INDUCER

Comments:

More than two-fold increase in mRNA expression concentration dependence. Use of mitapivat should be avoided with substrates of CYP3A, CYP2B6, or CYP2C that have narrow therapeutic index.

Amount:

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