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
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
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C14H13ClF6N6 |
| Molecular Weight | 414.737 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
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
PubMed
| Title | Date | PubMed |
|---|---|---|
| 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 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:38:53 GMT 2023
by
admin
on
Sat Dec 16 15:38:53 GMT 2023
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| Record UNII |
W4XG3EQK7B
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| Record Status |
Validated (UNII)
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300000028875
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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
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| Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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