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    Tenalisib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 1639417-53-0, Rp6530, Tenalisib [inn], 2261hh611h, (s)-2-(1-((7h-purin-6-yl)amino)propyl)-3-(3-fluorophenyl)-4h-chromen-4-one, 3-(3-fluorophenyl)-2-[(1s)-1-(7h-purin-6-ylamino)propyl]chromen-4-one
    Molecular Formula
    C23H18FN5O2
    Molecular Weight
    415.4  g/mol
    InChI Key
    HDXDQPRPFRKGKZ-INIZCTEOSA-N
    FDA UNII
    2261HH611H
    Tenalisib is an orally active, highly selective, small molecule inhibitor of the delta and gamma isoforms of phosphoinositide-3 kinase (PI3K) with potential immunomodulating and antineoplastic activities. Upon administration, tenalisib inhibits the PI3K delta and gamma isoforms and prevents the activation of the PI3K/AKT-mediated signaling pathway. This may lead to a reduction in cellular proliferation in PI3K delta/gamma-expressing tumor cells. In addition, this agent modulates inflammatory responses through various mechanisms, including the inhibition of both the release of reactive oxygen species (ROS) from neutrophils and tumor necrosis factor (TNF)-alpha activity. Unlike other isoforms of PI3K, the delta and gamma isoforms are overexpressed primarily in hematologic malignancies and in inflammatory and autoimmune diseases. By selectively targeting these isoforms, PI3K signaling in normal, non-neoplastic cells is minimally impacted or not affected at all, which minimizes the side effect profile for this agent.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(3-fluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]chromen-4-one
    2.1.2 InChI
    InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1
    2.1.3 InChI Key
    HDXDQPRPFRKGKZ-INIZCTEOSA-N
    2.1.4 Canonical SMILES
    CCC(C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5
    2.1.5 Isomeric SMILES
    CC[C@@H](C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5
    2.2 Other Identifiers
    2.2.1 UNII
    2261HH611H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(3-fluorophenyl)-2-((1s)-1-(7h-purin-6-ylamino)propyl)chromen-4-one

    2. Rp6530

    2.3.2 Depositor-Supplied Synonyms

    1. 1639417-53-0

    2. Rp6530

    3. Tenalisib [inn]

    4. 2261hh611h

    5. (s)-2-(1-((7h-purin-6-yl)amino)propyl)-3-(3-fluorophenyl)-4h-chromen-4-one

    6. 3-(3-fluorophenyl)-2-[(1s)-1-(7h-purin-6-ylamino)propyl]chromen-4-one

    7. Rp-6530

    8. 3-(3-fluorophenyl)-2-((1s)-1-((7h-purin-6-yl)amino)propyl)-4h-1-benzopyran-4-one

    9. 4h-1-benzopyran-4-one, 3-(3-fluorophenyl)-2-((1s)-1-(9h-purin-6-ylamino)propyl)-

    10. Tenalisib (rp6530)

    11. 3-(3-fluorophenyl)-2-((1s)-1-(7h-purin-6-ylamino)propyl)chromen-4-one

    12. Rp6530, Tenalisib

    13. Tenalisib [who-dd]

    14. Gtpl9907

    15. Chembl4297584

    16. Schembl16279460

    17. Schembl21828463

    18. Unii-2261hh611h

    19. Bcp25998

    20. Ex-a2699

    21. Bdbm50512870

    22. Nsc803014

    23. Rp6530rp6530

    24. S8672

    25. Akos037645008

    26. Ccg-268828

    27. Cs-6375

    28. Db15295

    29. Nsc-803014

    30. Rp 6530

    31. As-56118

    32. Hy-17645

    33. A16799

    34. C73162

    35. A857570

    36. Q27253617

    37. (s)-2-(1-((9h-purin-6-yl)amino)propyl)-3-(3-fluorophenyl)-4h-chromen-4-one

    38. 3-(3-fluorophenyl)-2-[(1s)-1-[(9h-purin-6-yl)amino]propyl]-4h-chromen-4-one

    39. 1693773-94-2

    2.4 Create Date
    2014-12-22
    3 Chemical and Physical Properties
    Molecular Weight 415.4 g/mol
    Molecular Formula C23H18FN5O2
    XLogP34.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass415.14445300 g/mol
    Monoisotopic Mass415.14445300 g/mol
    Topological Polar Surface Area92.8 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity704
    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

    Phosphoinositide-3 Kinase Inhibitors

    Agents that inhibit PHOSPHOINOSITIDE-3 KINASE activity. (See all compounds classified as Phosphoinositide-3 Kinase Inhibitors.)