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    06E70014-448A-45CD-9AF1-4C0B9CF51C14

    ACTIVE PHARMA INGREDIENTS

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    $ API Ref.Price (USD/KG) : 2,959Xls

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    2D Structure
    Also known as: 26046-90-2, 3-(methylseleno)-l-alanine, Methylselenocysteine, (r)-2-amino-3-(methylselanyl)propanoic acid, Se-methyl-l-selenocysteine, L-alanine, 3-(methylseleno)-
    Molecular Formula
    C4H9NO2Se
    Molecular Weight
    182.09  g/mol
    InChI Key
    XDSSPSLGNGIIHP-VKHMYHEASA-N
    FDA UNII
    TWK220499Z
    Methylselenocysteine is a naturally occurring organoselenium compound found in many plants, including garlic, onions, and broccoli, with potential antioxidant and chemopreventive activities. Se-Methyl-seleno-L-cysteine (MSC) is an amino acid analogue of cysteine in which a methylselenium moiety replaces the sulphur atom of cysteine. This agent acts as an antioxidant when incorporated into glutathione peroxidase and has been shown to exhibit potent chemopreventive activity in animal models.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-amino-3-methylselanylpropanoic acid
    2.1.2 InChI
    InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
    2.1.3 InChI Key
    XDSSPSLGNGIIHP-VKHMYHEASA-N
    2.1.4 Canonical SMILES
    C[Se]CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    C[Se]C[C@@H](C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    TWK220499Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. L-methyl-selenocysteine

    2. Methyl Selenocysteine

    3. Methylselenocysteine

    4. Se-methyl-selenocysteine

    5. Selenohomocysteine

    6. Selenomethylselenocysteine

    7. Selenomethylselenocysteine, (d,l)-isomer

    8. Selenomethylselenocysteine, (l)-isomer

    9. Selenomethylselenocysteine, (l)-isomer, 75se-labeled

    10. Semcys

    2.3.2 Depositor-Supplied Synonyms

    1. 26046-90-2

    2. 3-(methylseleno)-l-alanine

    3. Methylselenocysteine

    4. (r)-2-amino-3-(methylselanyl)propanoic Acid

    5. Se-methyl-l-selenocysteine

    6. L-alanine, 3-(methylseleno)-

    7. Selenium-methylselenocystine

    8. Se-methyl-seleno-l-cysteine

    9. Se-methylseleno-l-cysteine

    10. Se-methyl-selenocysteine

    11. (2r)-2-amino-3-methylselanylpropanoic Acid

    12. Chebi:27812

    13. Twk220499z

    14. 2-amino-3-methylselenyl Propionic Acid

    15. Selenomethylselenocysteine

    16. (2r)-2-amino-3-(methylselanyl)propanoic Acid

    17. Se-msc

    18. Semcys

    19. Ccris 5465

    20. Methylseleno-l-cysteine

    21. L-se-methylselenocysteine

    22. Unii-twk220499z

    23. Msec

    24. Semsc

    25. L-methylselenocysteine

    26. Se Msc

    27. Methyl-l-selenocysteine

    28. Cysteine, Seleno-methyl-

    29. Lopac0_000799

    30. 3-(methylselanyl)-l-alanine

    31. Chembl62382

    32. Schembl420015

    33. Se-(methyl)seleno-l-cysteine

    34. Methylselenocysteine, L-

    35. L-selenomethylcysteine 0.5% Tr

    36. Dtxsid801020160

    37. Methylselenocysteine [who-dd]

    38. Mfcd00800565

    39. Akos016005152

    40. Ccg-204883

    41. Db12697

    42. Sdccgsbi-0050776.p002

    43. Ncgc00162258-01

    44. Ncgc00162258-02

    45. Alanine, 3-(methylselenyl)-, L-

    46. Hy-114245

    47. (r)-2-amino-3-(methylselanyl)propanoicacid

    48. Cs-0080570

    49. C05689

    50. D95282

    51. 046s902

    52. J-016235

    53. Q21099600

    54. 06e70014-448a-45cd-9af1-4c0b9cf51c14

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 182.09 g/mol
    Molecular Formula C4H9NO2Se
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass182.97985 g/mol
    Monoisotopic Mass182.97985 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity86.1
    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

    Anticarcinogenic Agents

    Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved. (See all compounds classified as Anticarcinogenic Agents.)