VORASIDENIB CITRATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C14H13ClF6N6.C6H8O7
Molecular Weight	1021.597
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VORASIDENIB CITRATE ANHYDROUS

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.C[C@@H](NC1=NC(=NC(N[C@H](C)C(F)(F)F)=N1)C2=CC=CC(Cl)=N2)C(F)(F)F.C[C@@H](NC3=NC(=NC(N[C@H](C)C(F)(F)F)=N3)C4=CC=CC(Cl)=N4)C(F)(F)F

InChI

InChIKey=OCEHQNOYRLHJCI-WPRTUUMNSA-N

InChI=1S/2C14H13ClF6N6.C6H8O7/c2*1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*3-7H,1-2H3,(H2,22,23,25,26,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2*6-,7-;/m11./s1

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27355333 | https://clinicaltrials.gov/ct2/show/NCT02492737 | https://clinicaltrials.gov/ct2/show/NCT02481154

Vorasidenib (also known as AG 881) was developed as an isocitrate dehydrogenase (IDH) type 1 in the cytoplasm and type 2 in the mitochondria, with potential antineoplastic activity. It is known that IDH is an essential enzyme for cellular respiration in the tricarboxylic acid (TCA) cycle. Isocitrate dehydrogenases 1 and 2 (IDH1/2) are homodimeric enzymes that catalyze the conversion of isocitrate to α-ketoglutarate (α-KG) in the tricarboxylic acid cycle. Vorasidenib participated in phase I clinical trials in patients with advanced hematologic malignancies and in gliomas.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Isocitrate dehydrogenase [NADP], mitochondrial 5 Target ID: P48735 Gene ID: 3418.0 Gene Symbol: IDH2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/27355333	Inhibitor 8297
Isocitrate dehydrogenase [NADP] cytoplasmic 3 Target ID: O75874 Gene ID: 3417.0 Gene Symbol: IDH1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/27355333	Inhibitor 8297

PubMed

Title	Date	PubMed
Targeting isocitrate dehydrogenase (IDH) in cancer.	2016 May	27355333
Inhibitors of Mutant Isocitrate Dehydrogenases 1 and 2 (mIDH1/2): An Update and Perspective.	2018 Oct 25	29847930

Sample Use Guides

In Vivo Use Guide

oral doses of AG-881 to determine maximum tolerated dose (MTD) and/or the recommended Phase II dose

Route of Administration: Oral

Name

Type

Language

VORASIDENIB CITRATE ANHYDROUS

Common Name

English

AG-881 HEMICITRATE

Code

English

VORASIDENIB HEMICITRATE

Common Name

English

1,3,5-TRIAZINE-2,4-DIAMINE, 6-(6-CHLORO-2-PYRIDINYL)-N2,N4-BIS((1R)-2,2,2-TRIFLUORO-1-METHYLETHYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (2:1)

Systematic Name

English

Code System Code Type Description

CAS

2316810-00-9

Created by admin on Sat Dec 16 15:38:53 GMT 2023 , Edited by admin on Sat Dec 16 15:38:53 GMT 2023

PRIMARY

PUBCHEM

146675102

Created by admin on Sat Dec 16 15:38:53 GMT 2023 , Edited by admin on Sat Dec 16 15:38:53 GMT 2023

PRIMARY

SMS_ID

300000028875

Created by admin on Sat Dec 16 15:38:53 GMT 2023 , Edited by admin on Sat Dec 16 15:38:53 GMT 2023

PRIMARY

FDA UNII

W4XG3EQK7B

Created by admin on Sat Dec 16 15:38:53 GMT 2023 , Edited by admin on Sat Dec 16 15:38:53 GMT 2023

PRIMARY

ACTIVE MOIETY


					789Q85GA8P

VORASIDENIB

SUBSTANCE RECORD


					W4XG3EQK7B

VORASIDENIB CITRATE ANHYDROUS

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/27355333 | https://clinicaltrials.gov/ct2/show/NCT02492737 | https://clinicaltrials.gov/ct2/show/NCT02481154

Originator

Approval Year

Targets

PubMed

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27355333 | https://clinicaltrials.gov/ct2/show/NCT02492737 | https://clinicaltrials.gov/ct2/show/NCT02481154