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    CCX140

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 1100318-47-5, Ccx140, Ilacirnon, Ccx140-b, Ilacirnon [usan], Ccx-140
    Molecular Formula
    C20H13ClF3N5O3S
    Molecular Weight
    495.9  g/mol
    InChI Key
    LUUMLYXKTPBTQR-UHFFFAOYSA-N
    FDA UNII
    380F68J5PH
    CCX-140 is under investigation in clinical trial NCT01440257 (A Study to Evaluate the Effect of CCX140-B on Urinary Albumin Excretion in Subjects With Type 2 Diabetes and Albuminuria).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
    2.1.2 InChI
    InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)
    2.1.3 InChI Key
    LUUMLYXKTPBTQR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    380F68J5PH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ccx140-b

    2.3.2 Depositor-Supplied Synonyms

    1. 1100318-47-5

    2. Ccx140

    3. Ilacirnon

    4. Ccx140-b

    5. Ilacirnon [usan]

    6. Ccx-140

    7. Chembl2178573

    8. 380f68j5ph

    9. Mfcd30378911

    10. 4-chloro-n-[5-methyl-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

    11. 4-chloro-n-(5-methyl-2-(7h-pyrrolo(2,3-d)pyrimidin-4-ylcarbonyl)-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

    12. 4-chloro-n-(5-methyl-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

    13. Ilacirnon [inn]

    14. Ccx140b

    15. Schembl127113

    16. Unii-380f68j5ph

    17. Ccx-140b

    18. Ccx140-bccx140-b

    19. Gtpl11185

    20. Ccx140b; Ccx140 B

    21. Bcp25695

    22. Ex-a2956

    23. Ac1940

    24. Bdbm50398343

    25. Who 11339

    26. Zinc43204193

    27. Cs-6448

    28. Example 5 [wo2009009740a1]

    29. Ac-31374

    30. Cs-12273

    31. Sy044972

    32. Db-106774

    33. Hy-101713

    34. 4-chloro-n-(5-methyl-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamidedine-4-carbonyl)pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

    35. 4-chloro-n-[5-methyl-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide

    36. Benzenesulfonamide, 4-chloro-n-(5-methyl-2-(7h-pyrrolo(2,3-d)pyrimidin-4-ylcarbonyl)-3-pyridinyl)-3-(trifluoromethyl)-

    2.4 Create Date
    2009-01-26
    3 Chemical and Physical Properties
    Molecular Weight 495.9 g/mol
    Molecular Formula C20H13ClF3N5O3S
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass495.0379726 g/mol
    Monoisotopic Mass495.0379726 g/mol
    Topological Polar Surface Area126 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity827
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1