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    Ensartinib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1365267-27-1, X-376, X-396, 7dr7jmb8bh, Chembl2376648, 6-amino-5-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-n-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide
    Molecular Formula
    C25H25Cl2FN6O3
    Molecular Weight
    547.4  g/mol
    InChI Key
    ONPGOSVDVDPBCY-CQSZACIVSA-N
    FDA UNII
    7DR7JMB8BH
    X-396 has been used in trials studying the treatment of Advanced Solid Tumors and Non-small Cell Lung Cancer.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1
    2.1.3 InChI Key
    ONPGOSVDVDPBCY-CQSZACIVSA-N
    2.1.4 Canonical SMILES
    CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N)C(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C
    2.1.5 Isomeric SMILES
    C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N)C(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C
    2.2 Other Identifiers
    2.2.1 UNII
    7DR7JMB8BH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-amino-5-((1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-n-(4-(4-methylpiperazine-1-carbonyl)phenyl)pyridazine-3-carboxamide

    2. Ensartinib

    3. X-396

    2.3.2 Depositor-Supplied Synonyms

    1. 1365267-27-1

    2. X-376

    3. X-396

    4. 7dr7jmb8bh

    5. Chembl2376648

    6. 6-amino-5-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-n-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide

    7. 3-pyridazinecarboxamide, 6-amino-5-((1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-n-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)-

    8. Unii-7dr7jmb8bh

    9. Gtpl8959

    10. Schembl15131466

    11. Bcp07190

    12. Ex-a2227

    13. Bdbm50432894

    14. Nsc800968

    15. S6505

    16. Zinc96258164

    17. Cs-6077

    18. Db13104

    19. Nsc-800968

    20. Example 18 [wo2012048259]

    21. Ac-35751

    22. Hy-16590

    23. X376

    24. X 396

    25. X-376; X-396

    26. Q27077191

    2.4 Create Date
    2012-05-14
    3 Chemical and Physical Properties
    Molecular Weight 547.4 g/mol
    Molecular Formula C25H25Cl2FN6O3
    XLogP33.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass546.1349222 g/mol
    Monoisotopic Mass546.1349222 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity784
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Protein Kinase Inhibitors

    Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)