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    SR9009

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 3,820Xls

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    2D Structure
    Also known as: Sr9009, 1379686-30-2, Sr-9009, Sr 9009, Stenabolic (sr9009), X5dca09n30
    Molecular Formula
    C20H24ClN3O4S
    Molecular Weight
    437.9  g/mol
    InChI Key
    MMJJNHOIVCGAAP-UHFFFAOYSA-N
    FDA UNII
    X5DCA09N30
    SR-9009 is a REV-ERB agonist. SR-9011 has been demonstrated that it is specifically lethal to cancer cells and oncogene-induced senescent cells, including melanocytic naevi, and has no effect on the viability of normal cells or tissues.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3
    2.1.3 InChI Key
    MMJJNHOIVCGAAP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)N1CCC(C1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    X5DCA09N30
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sr9009

    2.3.2 Depositor-Supplied Synonyms

    1. Sr9009

    2. 1379686-30-2

    3. Sr-9009

    4. Sr 9009

    5. Stenabolic (sr9009)

    6. X5dca09n30

    7. Chembl1961796

    8. 1-pyrrolidinecarboxylic Acid, 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-, Ethyl Ester

    9. Stenabolic

    10. 1-pyrrolidinecarboxylic Acid, 3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-, Ethyl Ester

    11. Rev-erb Agonist Ii

    12. Unii-x5dca09n30

    13. Gtpl8901

    14. Ex-a726

    15. Sr 9009 [who-dd]

    16. Dtxsid901045515

    17. Bcp16215

    18. Bdbm50366238

    19. Mfcd29472236

    20. Nsc810521

    21. S8692

    22. Akos027470307

    23. Ccg-269102

    24. Cs-4669

    25. Db14013

    26. Nsc-810521

    27. Sb19006

    28. Ncgc00384202-01

    29. Ac-30219

    30. As-55859

    31. Hy-16989

    32. A886340

    33. J-690150

    34. Q15410184

    35. Ethyl 3-(4-chlorobenzyl)((5-nitrothiophen-2-yl)methylaminomethyl)pyrrolidine-1-carboxylate

    36. N'-[(1e)-1-(5-chloro-2-hydroxyphenyl)ethylidene]-3-(4-morpholinylsulfonyl)benzohydrazide

    37. Ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitro-2-thienyl)methyl]amino]methyl]pyrrolidine-1-carboxylate

    38. Ethyl 3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-1-pyrrolidinecarboxylate

    2.4 Create Date
    2012-07-25
    3 Chemical and Physical Properties
    Molecular Weight 437.9 g/mol
    Molecular Formula C20H24ClN3O4S
    XLogP34.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass437.1176051 g/mol
    Monoisotopic Mass437.1176051 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity556
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1