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    Sovleplenib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Sovleplenib [inn], 9cl6353kho, 1415792-84-5, (s)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-n-(morpholin-2-ylmethyl)pyrido(4,3-b)pyrazin-5-amine, Pyrido[3,4-b]pyrazin-5-amine, 7-[4-[1-(methylsulfonyl)-4-piperidinyl]phenyl]-n-[(2s)-2-morpholinylmethyl]-, Unii-9cl6353kho
    Molecular Formula
    C24H30N6O3S
    Molecular Weight
    482.6  g/mol
    InChI Key
    NJIAKNWTIVDSDA-FQEVSTJZSA-N
    FDA UNII
    9CL6353KHO
    Sovleplenib is an orally available inhibitor of spleen tyrosine kinase (Syk), with potential immunomodulating and antineoplastic activities. Upon oral administration of sovleplenib, this agent binds to and inhibits the activity of Syk. This inhibits B-cell receptor (BCR) signaling, which leads to the inhibition of B-cell activation, and prevents tumor cell activation, migration, adhesion and proliferation. Syk, a non-receptor cytoplasmic, BCR-associated tyrosine kinase, is expressed in hematopoietic tissues and is often overexpressed in hematopoietic malignancies; it plays a key role in B-cell receptor signaling.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
    2.1.2 InChI
    InChI=1S/C24H30N6O3S/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)21-14-22-23(27-9-8-26-22)24(29-21)28-16-20-15-25-10-13-33-20/h2-5,8-9,14,18,20,25H,6-7,10-13,15-16H2,1H3,(H,28,29)/t20-/m0/s1
    2.1.3 InChI Key
    NJIAKNWTIVDSDA-FQEVSTJZSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)N1CCC(CC1)C2=CC=C(C=C2)C3=CC4=NC=CN=C4C(=N3)NCC5CNCCO5
    2.1.5 Isomeric SMILES
    CS(=O)(=O)N1CCC(CC1)C2=CC=C(C=C2)C3=CC4=NC=CN=C4C(=N3)NC[C@@H]5CNCCO5
    2.2 Other Identifiers
    2.2.1 UNII
    9CL6353KHO
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sovleplenib [inn]

    2. 9cl6353kho

    3. 1415792-84-5

    4. (s)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-n-(morpholin-2-ylmethyl)pyrido(4,3-b)pyrazin-5-amine

    5. Pyrido[3,4-b]pyrazin-5-amine, 7-[4-[1-(methylsulfonyl)-4-piperidinyl]phenyl]-n-[(2s)-2-morpholinylmethyl]-

    6. Unii-9cl6353kho

    7. Hmpl523

    8. Hmpl-523

    9. Hmpl-523 [who-dd]

    10. Schembl14242080

    11. Gtpl11886

    12. Zinc143715528

    13. Compound 225 [wo2012167733a1]

    14. Hy-145598

    15. Cs-0376654

    16. F78019

    17. (s)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-n-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

    2.4 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 482.6 g/mol
    Molecular Formula C24H30N6O3S
    XLogP31.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count6
    Exact Mass482.21001001 g/mol
    Monoisotopic Mass482.21001001 g/mol
    Topological Polar Surface Area118 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity748
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1