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    Technical details about KZR-616, learn more about the structure, uses, toxicity, action, side effects and more

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    KZR-616

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    DIGITAL CONTENT

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. 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

    2D Structure

    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 Weight 586.7 g/mol
    Molecular Formula C30H42N4O8
    XLogP30.4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count14
    Exact Mass586.30026431 g/mol
    Monoisotopic Mass586.30026431 g/mol
    Topological Polar Surface Area159 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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