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    Tac 101

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
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    2D Structure
    Also known as: 125973-56-0, Tac-101, Am 555s, Amsilarotene [inn], Am555s,tac-101, 4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic acid
    Molecular Formula
    C20H27NO3Si2
    Molecular Weight
    385.6  g/mol
    InChI Key
    VVTNSTLJOVCBDL-UHFFFAOYSA-N
    FDA UNII
    Q1418F39MH
    Amsilarotene is a retinobenzoic acid with potential antineoplastic activity. Amsilarotene inhibits retinoblastoma-gene product (RB) phosphorylation and increases the presence of 2 cyclin-dependent kinase (CDK) inhibitors, resulting in cell cycle arrest. This agent also causes a cytotoxic decline in cyclin A and thymidylate synthase expression.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic acid
    2.1.2 InChI
    InChI=1S/C20H27NO3Si2/c1-25(2,3)17-11-15(12-18(13-17)26(4,5)6)19(22)21-16-9-7-14(8-10-16)20(23)24/h7-13H,1-6H3,(H,21,22)(H,23,24)
    2.1.3 InChI Key
    VVTNSTLJOVCBDL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C[Si](C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)[Si](C)(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    Q1418F39MH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(3,5-bis(trimethylsilyl)benzamido)benzoic Acid

    2. Am 555s

    3. Am-555s

    4. Am555s

    5. Tac 101

    6. Tac-101

    2.3.2 Depositor-Supplied Synonyms

    1. 125973-56-0

    2. Tac-101

    3. Am 555s

    4. Amsilarotene [inn]

    5. Am555s,tac-101

    6. 4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic Acid

    7. Amsilarotene; Tac 101

    8. Q1418f39mh

    9. 4-[3,5-bis(trimethylsilyl) Benzamido] Benzoic Acid

    10. Benzoic Acid, 4-[[3,5-bis(trimethylsilyl)benzoyl]amino]-

    11. Am-555s

    12. Tac 101

    13. 4-(3,5-bis(trimethylsilyl)benzamido)benzoic Acid

    14. Benzoic Acid, 4-((3,5-bis(trimethylsilyl)benzoyl)amino)-

    15. Unii-q1418f39mh

    16. Ccris 9419

    17. 4-(3,5-bis(trimethylsilyl)benzamido) Benzoic Acid

    18. Amsilarotene [who-dd]

    19. Chembl32994

    20. Schembl1133175

    21. Dtxsid90155013

    22. Ex-a128

    23. Bcp06502

    24. Akos032947226

    25. Zinc169746726

    26. Ac-36797

    27. Da-13333

    28. Hy-14653

    29. Cs-0003504

    30. Ft-0769431

    31. A13122

    32. Q27286879

    33. 5-(4-methylphenyl)furan-2-carboxylicacidmethylester

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 385.6 g/mol
    Molecular Formula C20H27NO3Si2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass385.15294679 g/mol
    Monoisotopic Mass385.15294679 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity494
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1