loader
Please Wait
Applying Filters...

AbbVie Contract Manufacturing AbbVie Contract Manufacturing

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Tesetaxel

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 333754-36-2, Dj-927, Tesetaxel [inn], Ug97lo5m8y, [(2r,4s,6s,7r,10r,13s,14r,15s,16s,18s)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2r,3s)-3-(3-fluoropyridin-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate, Unii-ug97lo5m8y
    Molecular Formula
    C46H60FN3O13
    Molecular Weight
    882.0  g/mol
    InChI Key
    MODVSQKJJIBWPZ-VLLPJHQWSA-N
    FDA UNII
    UG97LO5M8Y
    Tesetaxel is a semi-synthetic, orally bioavailable taxane derivative with potential antineoplastic and antiangiogenic properties. Tesetaxel binds to and stabilizes tubulin, promoting microtubule assembly and thereby preventing microtubule depolymerization. This may lead to cell cycle arrest and an inhibition of cell proliferation. This agent may also inhibit pro-angiogenic factors such as vascular endothelial growth factor (VEGF). As it represents poor substrate for P-glycoprotein-related drug resistance mechanisms, this agent may be useful for treating multi-drug resistant tumors.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2R,3S)-3-(3-fluoropyridin-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
    2.1.2 InChI
    InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1
    2.1.3 InChI Key
    MODVSQKJJIBWPZ-VLLPJHQWSA-N
    2.1.4 Canonical SMILES
    CC1=C2C3C(C4(CCC5C(C4C(C(C2(C)C)(CC1OC(=O)C(C(C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)OC(O3)CN(C)C
    2.1.5 Isomeric SMILES
    CC1=C2[C@@H]3[C@H]([C@@]4(CC[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    UG97LO5M8Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dj-927

    2. Dj927

    2.3.2 Depositor-Supplied Synonyms

    1. 333754-36-2

    2. Dj-927

    3. Tesetaxel [inn]

    4. Ug97lo5m8y

    5. [(2r,4s,6s,7r,10r,13s,14r,15s,16s,18s)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2r,3s)-3-(3-fluoropyridin-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] Benzoate

    6. Unii-ug97lo5m8y

    7. Dj927

    8. Dj 927

    9. Tesetaxel [who-dd]

    10. Chembl2107787

    11. Schembl12060837

    12. Dtxsid00870326

    13. Db12019

    14. Hy-16491

    15. Cs-0006362

    16. Q7705452

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 882.0 g/mol
    Molecular Formula C46H60FN3O13
    XLogP33.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count15
    Exact Mass881.41101714 g/mol
    Monoisotopic Mass881.41101714 g/mol
    Topological Polar Surface Area202 Ų
    Heavy Atom Count63
    Formal Charge0
    Complexity1780
    Isotope Atom Count0
    Defined Atom Stereocenter Count12
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY