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Chemistry

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Also known as: 2079939-05-0, (-)-sirpiglenastat, Drp-104, Sirpiglenastat [usan], 9gge6a0zmk, Sirpiglenastat [inn]
Molecular Formula
C22H27N5O5
Molecular Weight
441.5  g/mol
InChI Key
LQNMCWOJACNQQM-PMACEKPBSA-N
FDA UNII
9GGE6A0ZMK

Sirpiglenastat
SIRPIGLENASTAT is a small molecule drug with a maximum clinical trial phase of I (across all indications) and has 2 investigational indications.
1 2D Structure

Sirpiglenastat

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
propan-2-yl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-6-diazo-5-oxohexanoate
2.1.2 InChI
InChI=1S/C22H27N5O5/c1-13(2)32-22(31)19(9-8-16(29)12-25-23)27-21(30)20(26-14(3)28)10-15-11-24-18-7-5-4-6-17(15)18/h4-7,11-13,19-20,24H,8-10H2,1-3H3,(H,26,28)(H,27,30)/t19-,20-/m0/s1
2.1.3 InChI Key
LQNMCWOJACNQQM-PMACEKPBSA-N
2.2 Other Identifiers
2.2.1 UNII
9GGE6A0ZMK
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2079939-05-0

2. (-)-sirpiglenastat

3. Drp-104

4. Sirpiglenastat [usan]

5. 9gge6a0zmk

6. Sirpiglenastat [inn]

7. Sirpiglenastat [who-dd]

8. Sirpiglenastat (usan)

9. L-norleucine, N-acetyl-l-tryptophyl-6-diazo-5-oxo-, 1-methylethyl Ester

10. Propan-2-yl (2s)-2-((n-acetyl-l-tryptophyl)amino)-6-diazo-5-oxohexanoate

11. (s)-isopropyl 2-((s)-2-acetamido-3-(1h-indol-3-yl)propanamido)-6-diazo-5-oxohexanoate

12. Refchem:183238

13. Drp104

14. Glutamine Antagonist Drp-104

15. Drp 104

16. Sirpiglenastat?

17. Orb1687484

18. Chembl4650367

19. Schembl20465436

20. Schembl29495819

21. Glxc-26739

22. Ex-a10433

23. Da-67601

24. Hy-132832

25. Cs-0204139

26. D12008

27. G18545

28. Isopropyl(s)-2-((s)-2-acetamido-3-(1h-indol-3-yl)-propanamido)-6-diazo-5-oxo-hexanoate

29. Propan-2-yl (2s)-2-[[(2s)-2-acetamido-3-(1h-indol-3-yl)propanoyl]amino]-6-diazo-5-oxohexanoate

2.4 Create Date
2019-01-26
3 Chemical and Physical Properties
Molecular Weight 441.5 g/mol
Molecular Formula C22H27N5O5
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area119
Heavy Atom Count32
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1

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