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    O-Chloroacetylcarbamoyl-Fumagillol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Tnp-470, 129298-91-5, Agm-1470, Tnp 470, Agm 1470, O-chloroacetylcarbamoylfumagillol
    Molecular Formula
    C19H28ClNO6
    Molecular Weight
    401.9  g/mol
    InChI Key
    MSHZHSPISPJWHW-PVDLLORBSA-N
    FDA UNII
    X47GR46481
    Semisynthetic analog of fumagillin (a cyclohexane-sesquiterpene antibiotic isolated from ASPERGILLUS FUMIGATUS) that inhibits angiogenesis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
    2.1.2 InChI
    InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
    2.1.3 InChI Key
    MSHZHSPISPJWHW-PVDLLORBSA-N
    2.1.4 Canonical SMILES
    CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NC(=O)CCl)OC)C
    2.1.5 Isomeric SMILES
    CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C
    2.2 Other Identifiers
    2.2.1 UNII
    X47GR46481
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2,5)oct-6-yl(chloroacetyl) Carbamate

    2. Agm 1470

    3. Agm-1470

    4. Agm1470

    5. Caplostatin

    6. Tnp 470

    7. Tnp-470

    8. Tnp470

    2.3.2 Depositor-Supplied Synonyms

    1. Tnp-470

    2. 129298-91-5

    3. Agm-1470

    4. Tnp 470

    5. Agm 1470

    6. O-chloroacetylcarbamoylfumagillol

    7. Drg-0148

    8. Nsc642492

    9. Nsc-642492

    10. Chembl424278

    11. (3r,4s,5s,6r)-5-methoxy-4-((2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-yl (2-chloroacetyl)carbamate

    12. Chebi:90748

    13. X47gr46481

    14. Carbamic Acid, N-(2-chloroacetyl)-, (3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl Ester

    15. (3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl (chloroacetyl)carbamate

    16. Nsc 642492

    17. Ccris 8049

    18. Unii-x47gr46481

    19. Carbamic Acid, N-(2-chloroacetyl)-, (3r,4s,5s,6r)-5-methoxy-4-((2r,3r)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl)-1-oxaspiro(2.5)oct-6-yl Ester

    20. Schembl1652694

    21. Dtxsid0041141

    22. Bdbm17446

    23. Tnp-470 [mi]

    24. Zinc3914617

    25. Ccg-208103

    26. Cs-8106

    27. Db08633

    28. (3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-(2-chloroacetyl)carbamate

    29. [(3r,6r,7s,8s)-7-methoxy-8-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate

    30. Nci60_014346

    31. Agm-1470; Nsc 642492

    32. Hy-101932

    33. Tnp-470, >=98% (hplc)

    34. 298t915

    35. J-005665

    36. Brd-k53597484-001-01-9

    37. Q27097825

    38. (chloroacetyl)carbamic Acid (3r,4s,5s,5r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl Ester

    39. [(3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate

    40. Carbamic Acid, (3r,4s,5s,6r)-5-methoxy-4-[ (2r,3r)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl Ester

    41. Carbamic Acid, (chloroacetyl)-, (3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl Ester

    42. Carbamic Acid, (chloroacetyl)-, 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)oct-6-yl Ester, (3r-(3alpha,4alpha(2r*,3r*),5beta,6beta))-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 401.9 g/mol
    Molecular Formula C19H28ClNO6
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass401.1605153 g/mol
    Monoisotopic Mass401.1605153 g/mol
    Topological Polar Surface Area89.7 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity636
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    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

    Angiogenesis Inhibitors

    Agents and endogenous substances that antagonize or inhibit the development of new blood vessels. (See all compounds classified as Angiogenesis Inhibitors.)

    Antibiotics, Antineoplastic

    Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)