loader
Please Wait
Applying Filters...

SPI Pharma Corp Ad SPI Pharma Corp Ad

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Carotegrast Methyl, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Carotegrast Methyl

    DEVELOPMENTS

    MARKET PLACE

    DIGITAL CONTENT

    PharmaCompass

    Temad- We think of world-class quality.

    IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

    2D Structure
    1. Also known as: 401905-67-7, Oyk17dyo9m, Carotegrast methyl (jan), Ajm300, Carotegrast methyl [jan], (2s)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]propanoic acid
    Molecular Formula
    C28H26Cl2N4O5
    Molecular Weight
    569.4  g/mol
    InChI Key
    MMHHPKCJJIFLBQ-QFIPXVFZSA-N
    FDA UNII
    OYK17DYO9M
    Carotegrast methyl is under investigation in clinical trial NCT03531892 (A Study to Evaluate the Safety and Efficacy of AJM300 in Participants With Active Ulcerative Colitis).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate
    2.1.2 InChI
    InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1
    2.1.3 InChI Key
    MMHHPKCJJIFLBQ-QFIPXVFZSA-N
    2.1.4 Canonical SMILES
    CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl
    2.1.5 Isomeric SMILES
    CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)C[C@@H](C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    OYK17DYO9M
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ajm300

    2. L-phenylalanine, N-(2,6-dichlorobenzoyl)-4-(6-(dimethylamino)-1,4-dihydro-1-methyl-2,4-dioxo-3(2h)-quinazolinyl)-, Methyl Ester

    3. Methyl N-(2,6-dichlorobenzoyl)-4-(6-(dimethylamino)-1-methyl-2,4-dioxo-1,4-dihydro-3(2h)-quinazolinyl)-l-phenylalaninate

    2.3.2 Depositor-Supplied Synonyms

    1. 401905-67-7

    2. Oyk17dyo9m

    3. Carotegrast Methyl (jan)

    4. Ajm300

    5. Carotegrast Methyl [jan]

    6. (2s)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]propanoic Acid

    7. Methyl (2s)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoate

    8. Unii-oyk17dyo9m

    9. Yl]phenyl]propanoate

    10. Schembl10329624

    11. Gtpl10510

    12. Dtxsid60193189

    13. Hy-124290

    14. Cs-0086113

    15. D09799

    16. (dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-

    17. Q27285918

    18. Methyl (2s)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-

    19. L-phenylalanine, N-(2,6-dichlorobenzoyl)-4-(6-(dimethylamino)-1,4-dihydro-1-methyl-2,4- Dioxo-3(2h)-quinazolinyl)-, Methyl Ester

    20. L-phenylalanine, N-(2,6-dichlorobenzoyl)-4-(6-(dimethylamino)-1,4-dihydro-1-methyl-2,4-dioxo-3(2h)-quinazolinyl)-, Methyl Ester

    21. N-(2,6-dichlorobenzoyl)-4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-3-yl]-l-phenylalanine Methyl Ester

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 569.4 g/mol
    Molecular Formula C28H26Cl2N4O5
    XLogP34.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass568.1280253 g/mol
    Monoisotopic Mass568.1280253 g/mol
    Topological Polar Surface Area99.3 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity918
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY