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    9-Aminocamptothecin

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 91421-43-1, Aminocamptothecin, 9-amino-camptothecin, 9-amino-cpt, 9-amino-20(s)-camptothecin, 9-amino-20-(s)-camptothecin
    Molecular Formula
    C20H17N3O4
    Molecular Weight
    363.4  g/mol
    InChI Key
    FUXVKZWTXQUGMW-FQEVSTJZSA-N
    FDA UNII
    5MB77ICE2Q
    Aminocamptothecin is a water-insoluble camptothecin derivative. Aminocamptothecin binds to the nuclear enzyme topoisomerase I, thereby inhibiting repair of single-strand DNA breakages. Because the terminal lactone ring of aminocamptothecin required for the agent's antitumor activity spontaneously opens under physiological conditions to an inactive carboxy form, the drug must be administered over an extended period of time to achieve effective cytotoxicity. (NCI04)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (19S)-8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
    2.1.2 InChI
    InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
    2.1.3 InChI Key
    FUXVKZWTXQUGMW-FQEVSTJZSA-N
    2.1.4 Canonical SMILES
    CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O
    2.1.5 Isomeric SMILES
    CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    5MB77ICE2Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 9-amino-20(s)-camptothecin

    2. 9-amino-20-camptothecin, (+-)-isomer

    3. 9-amino-20-camptothecin, (r,s)-isomer

    4. 9-amino-cpt

    5. Nsc 603071

    2.3.2 Depositor-Supplied Synonyms

    1. 91421-43-1

    2. Aminocamptothecin

    3. 9-amino-camptothecin

    4. 9-amino-cpt

    5. 9-amino-20(s)-camptothecin

    6. 9-amino-20-(s)-camptothecin

    7. Nsc-603071

    8. Nsc603071

    9. 5mb77ice2q

    10. Chembl274070

    11. (s)-10-amino-4-ethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione

    12. Chebi:80755

    13. (s)-10-amino-4-ethyl-4-hydroxy-1h-pyrano[3',4':6,7]-indolizino[1,2-b]quinoline-3,14(4h,12h)-dione

    14. Camptothecin, 9-amino-

    15. (19s)-8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

    16. (s)-10-amino-4-ethyl-4-hydroxy-1,12-dihydro-14h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h)-dione

    17. 10-amino-4(s)-4-ethyl-4-hydroxy-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione

    18. 10-amino-4(s)-4-ethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione

    19. Mls002702905

    20. Unii-5mb77ice2q

    21. Nsc 603071

    22. Idec-132

    23. Nsc-629971

    24. 9-aminocamptothecan

    25. 9-amino Camptothecin

    26. 9-nh2-camptothecin

    27. 9-amino-2(s)-camptothecin

    28. Schembl26578

    29. (s)-10-amino-4-ethyl-4-hydroxy-1h-pyrano(3;,4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione

    30. Cid_72402

    31. Mls000728575

    32. 9-aminocamptothecin [mi]

    33. Dtxsid10873202

    34. Hms2220k11

    35. Hms3339h11

    36. Hms3749c03

    37. 10-amino-4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

    38. Bcp09002

    39. Ex-a4335

    40. 9-amino-cpt (9-aminocamptothecin)

    41. Bdbm50008936

    42. Mfcd00909855

    43. S2653

    44. Zinc37866089

    45. 9-aminocamptothecin [who-dd]

    46. Akos015896595

    47. Cs-7784

    48. Db12515

    49. Ncgc00247552-01

    50. 1h-pyrano(3;,4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 10-amino-4-ethyl-4-hydroxy-, (s)-

    51. Ac-33991

    52. As-14292

    53. Nci60_004578

    54. Smr000445687

    55. Hy-100309

    56. F11420

    57. 421a431

    58. A843867

    59. J-504140

    60. Brd-k09291936-001-07-5

    61. Q27149808

    62. (s)-10-amino-4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

    63. 1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 10-amino-4-ethyl-4-hydroxy-, (4s)-

    64. 1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione,4-ethyl-4-hydroxy-9-nitro-

    65. 1h-pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione, 10-amino-4-ethyl-4-hydroxy-, (s)-

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 363.4 g/mol
    Molecular Formula C20H17N3O4
    XLogP30.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass363.12190603 g/mol
    Monoisotopic Mass363.12190603 g/mol
    Topological Polar Surface Area106 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity775
    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.)