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Technical details about Olutasidenib, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 1887014-12-1, Ft-2102, Olutasidenib [usan], Olutasidenib (ft-2102), 0t4imt8s5z, 5-[[(1s)-1-(6-chloro-2-oxo-1h-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
Molecular Formula
C18H15ClN4O2
Molecular Weight
354.8  g/mol
InChI Key
NEQYWYXGTJDAKR-JTQLQIEISA-N
FDA UNII
0T4IMT8S5Z

Olutasidenib is an orally available inhibitor of isocitrate dehydrogenase type 1 (IDH1; IDH-1; IDH1 [NADP+] soluble) with a mutation at arginine (R) 132, IDH1(R132), with potential antineoplastic activity. Upon administration, olutasidenib specifically inhibits IDH1(R132), thereby inhibiting the formation of the oncometabolite 2-hydroxyglutarate (2HG) from alpha-ketoglutarate (a-KG). This prevents 2HG-mediated signaling and leads to both an induction of cellular differentiation and an inhibition of cellular proliferation in tumor cells expressing IDH(R132). IDH1(R132) mutations are highly expressed in certain malignancies, including gliomas; they initiate and drive cancer growth by both blocking cell differentiation and catalyzing the formation of 2HG.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
2.1.2 InChI
InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
2.1.3 InChI Key
NEQYWYXGTJDAKR-JTQLQIEISA-N
2.1.4 Canonical SMILES
CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
2.1.5 Isomeric SMILES
C[C@@H](C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
2.2 Other Identifiers
2.2.1 UNII
0T4IMT8S5Z
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

2. Ft-2102

2.3.2 Depositor-Supplied Synonyms

1. 1887014-12-1

2. Ft-2102

3. Olutasidenib [usan]

4. Olutasidenib (ft-2102)

5. 0t4imt8s5z

6. 5-[[(1s)-1-(6-chloro-2-oxo-1h-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile

7. (s)-5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

8. Ft2102

9. 2-pyridinecarbonitrile, 5-(((1s)-1-(6-chloro-1,2-dihydro-2-oxo-3-quinolinyl)ethyl)amino)-1,6-dihydro-1-methyl-6-oxo-

10. 5-(((1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

11. 5-{[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

12. 5-[[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino]-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

13. Olutasidenib [inn]

14. Unii-0t4imt8s5z

15. Olutasidenib [who-dd]

16. Chembl4297610

17. Schembl17603134

18. Gtpl10319

19. Amy16919

20. Ex-a4523

21. Bdbm50506474

22. Example 26 [us9834539b2]

23. Nsc818621

24. S8949

25. Ft-2102ft-2102

26. Nsc-818621

27. Ac-36556

28. Hy-114226

29. Cs-0080183

30. D87221

31. 5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

32. Pwv

2.4 Create Date
2016-04-09
3 Chemical and Physical Properties
Molecular Weight 354.8 g/mol
Molecular Formula C18H15ClN4O2
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass354.0883534 g/mol
Monoisotopic Mass354.0883534 g/mol
Topological Polar Surface Area85.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity745
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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