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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H13ClF6N6
Molecular Weight 414.7371
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VORASIDENIB

SMILES

C[C@]([H])(C(F)(F)F)N=c1[nH]c(-c2cccc(Cl)n2)nc(=N[C@]([H])(C)C(F)(F)F)[nH]1

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
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.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P48735
Gene ID: 3418
Gene Symbol: IDH2
Target Organism: Homo sapiens (Human)
Target ID: O75874
Gene ID: 3417
Gene Symbol: IDH1
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
The Evolving Landscape in the Development of Isocitrate Dehydrogenase Mutant Inhibitors.
2016
Targeting isocitrate dehydrogenase (IDH) in cancer.
2016 May
Inhibitors of Mutant Isocitrate Dehydrogenases 1 and 2 (mIDH1/2): An Update and Perspective.
2018 Oct 25
Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2.
2018 Sep 18

Sample Use Guides

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
USAN   INN  
Official Name English
VORASIDENIB [INN]
Common Name English
AG-881
Common Name 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
Created by admin on Sat Jun 26 05:11:09 UTC 2021 , Edited by admin on Sat Jun 26 05:11:09 UTC 2021
FDA ORPHAN DRUG 649318
Created by admin on Sat Jun 26 05:11:09 UTC 2021 , Edited by admin on Sat Jun 26 05:11:09 UTC 2021
NCI_THESAURUS C129825
Created by admin on Sat Jun 26 05:11:09 UTC 2021 , Edited by admin on Sat Jun 26 05:11:09 UTC 2021
Code System Code Type Description
INN
10525
Created by admin on Sat Jun 26 05:11:09 UTC 2021 , Edited by admin on Sat Jun 26 05:11:09 UTC 2021
PRIMARY
NCI_THESAURUS
C152914
Created by admin on Sat Jun 26 05:11:09 UTC 2021 , Edited by admin on Sat Jun 26 05:11:09 UTC 2021
PRIMARY
CAS
1644545-52-7
Created by admin on Sat Jun 26 05:11:09 UTC 2021 , Edited by admin on Sat Jun 26 05:11:09 UTC 2021
PRIMARY
FDA UNII
789Q85GA8P
Created by admin on Sat Jun 26 05:11:09 UTC 2021 , Edited by admin on Sat Jun 26 05:11:09 UTC 2021
PRIMARY
PUBCHEM
117817422
Created by admin on Sat Jun 26 05:11:09 UTC 2021 , Edited by admin on Sat Jun 26 05:11:09 UTC 2021
PRIMARY