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Also known as: Kzr-616, Unii-o4bt6c02m2, O4bt6c02m2, 1629677-75-3, (2s,3r)-n-[(2s)-3-(cyclopenten-1-yl)-1-[(2r)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-hydroxy-3-(4-methoxyphenyl)-2-[[(2s)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide, (2s,3r)n((s)3-(cyclopent-1-en-1-yl)-1-((r)2-methyloxiran-2-yl)-1- oxopropan-2-yl)-3-hydroxy-3-(4-methoxyphenyl)-2-((s)2-(2- morpholinoacetamido)propanamido)propenamide

Molecular Formula

C₃₀H₄₂N₄O₈

Molecular Weight

586.7 g/mol

InChI Key

GHYOCDFICYLMRF-UTIIJYGPSA-N

FDA UNII

O4BT6C02M2

KZR-616 is under investigation in clinical trial NCT04033926 (A Phase 2 Study of KZR-616 to Evaluate Safety and Efficacy in Patients With Active Polymyositis or Dermatomyositis).

1 2D Structure

Zetomipzomib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R)-N-[(2S)-3-(cyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide

2.1.2 InChI

InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1

2.1.3 InChI Key

GHYOCDFICYLMRF-UTIIJYGPSA-N

2.1.4 Canonical SMILES

CC(C(=O)NC(C(C1=CC=C(C=C1)OC)O)C(=O)NC(CC2=CCCC2)C(=O)C3(CO3)C)NC(=O)CN4CCOCC4

2.1.5 Isomeric SMILES

C[C@@H](C(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)OC)O)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@]3(CO3)C)NC(=O)CN4CCOCC4

2.2 Other Identifiers

2.2.1 UNII

O4BT6C02M2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (2 S,3 R)- N-(( S)-3-(cyclopent-1-en-1-yl)-1-(( R)-2-methyloxiran-2-yl)-1-oxopropan-2-yl)-3-hydroxy-3-(4-methoxyphenyl)-2-(( S)-2-(2-morpholinoacetamido)propanamido)propenamide

2. Kzr-616

2.3.2 Depositor-Supplied Synonyms

1. Kzr-616

2. Unii-o4bt6c02m2

3. O4bt6c02m2

4. 1629677-75-3

5. (2s,3r)-n-[(2s)-3-(cyclopenten-1-yl)-1-[(2r)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-hydroxy-3-(4-methoxyphenyl)-2-[[(2s)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide

6. (2s,3r)n((s)3-(cyclopent-1-en-1-yl)-1-((r)2-methyloxiran-2-yl)-1- Oxopropan-2-yl)-3-hydroxy-3-(4-methoxyphenyl)-2-((s)2-(2- Morpholinoacetamido)propanamido)propenamide

7. Zetomipzomib [inn]

8. Kzr616

9. Chembl4297468

10. Schembl16118957

11. Gtpl10409

12. Ex-a6921

13. Bdbm50526811

14. Compound 12 [pmid: 30380863]

15. Hy-114419

16. Cs-0085023

17. 4,5-anhydro-1-(1-cyclopenten-1-yl)-1,2-dideoxy-4-c-methyl-2-((n-(2-(4-morpholinyl)acetyl)-l-alanyl-(.beta.r)-.beta.-hydroxy-o-methyl-l-tyrosyl)amino)-d-erythro-3-pentulose

18. 4,5-anhydro-1-(1-cyclopenten-1-yl)-1,2-dideoxy-4-c-methyl-2-((n-(2-(4-morpholinyl)acetyl)-l-alanyl-(betar)-beta-hydroxy-o-methyl-l-tyrosyl)amino)-d-erythro-3-pentulose

19. D-erythro-3-pentulose, 4,5-anhydro-1-(1-cyclopenten-1-yl)-1,2-dideoxy-4-c-methyl-2-((n-(2-(4-morpholinyl)acetyl)-l-alanyl-(.beta.r)-.beta.-hydroxy-o-methyl-l-tyrosyl)amino)-

20. D-erythro-3-pentulose, 4,5-anhydro-1-(1-cyclopenten-1-yl)-1,2-dideoxy-4-c-methyl-2-((n-(2-(4-morpholinyl)acetyl)-l-alanyl-(betar)-beta-hydroxy-o-methyl-l-tyrosyl)amino)-

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₄₂N₄O₈
Molecular Weight	586.7 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Exact Mass	586.30026431 g/mol
Monoisotopic Mass	586.30026431 g/mol
Topological Polar Surface Area	159 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1