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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 of VORASIDENIB

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
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: 3418.0
Gene Symbol: IDH2
Target Organism: Homo sapiens (Human)
Target ID: O75874
Gene ID: 3417.0
Gene Symbol: IDH1
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
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

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
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
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
FDA ORPHAN DRUG 649318
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
Code System Code Type Description
INN
10525
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
PRIMARY
NCI_THESAURUS
C152914
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
PRIMARY
SMS_ID
100000184129
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
PRIMARY
CAS
1644545-52-7
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
PRIMARY
FDA UNII
789Q85GA8P
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
PRIMARY
PUBCHEM
117817422
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
PRIMARY
USAN
HI-102
Created by admin on Sat Dec 16 02:16:22 UTC 2023 , Edited by admin on Sat Dec 16 02:16:22 UTC 2023
PRIMARY