VORASIDENIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H13ClF6N6
Molecular Weight	414.737
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](NC1=NC(=NC(N[C@H](C)C(F)(F)F)=N1)C2=CC=CC(Cl)=N2)C(F)(F)F

InChI

InChIKey=QCZAWDGAVJMPTA-RNFRBKRXSA-N

InChI=1S/C14H13ClF6N6/c1-6(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/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/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
Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2.	2018 Sep 18	30131249

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

Official Name

English

vorasidenib [INN]

Common Name

English

AG-881

Code

English

Vorasidenib [WHO-DD]

Common Name

English

VORASIDENIB [USAN]

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)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C137826