loader
Please Wait
Applying Filters...

EuroAPI Header EuroAPI Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Verdinexor

    APIs // Active Pharmaceutical Ingredients

    DIGITAL CONTENT

    PharmaCompass

    With Fermion, start the journey of your innovative API.

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

    2D Structure
    1. Also known as: 1392136-43-4, Verdinexor (kpt-335), Kpt-335, 85q03215iw, (z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-n'-(pyridin-2-yl)acrylohydrazide, (2z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-n'-(pyridin-2-yl)prop-2-enehydrazide
    Molecular Formula
    C18H12F6N6O
    Molecular Weight
    442.3  g/mol
    InChI Key
    OPAKEJZFFCECPN-XQRVVYSFSA-N
    FDA UNII
    85Q03215IW
    Kpt 335 is under investigation in clinical trial NCT02431364 (Trial of Safety and Tolerability of Oral Verdinexor (Verdinexor) in Healthy Adults).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-2-ylprop-2-enehydrazide
    2.1.2 InChI
    InChI=1S/C18H12F6N6O/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)16-26-10-30(29-16)6-4-15(31)28-27-14-3-1-2-5-25-14/h1-10H,(H,25,27)(H,28,31)/b6-4-
    2.1.3 InChI Key
    OPAKEJZFFCECPN-XQRVVYSFSA-N
    2.1.4 Canonical SMILES
    C1=CC=NC(=C1)NNC(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
    2.1.5 Isomeric SMILES
    C1=CC=NC(=C1)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    85Q03215IW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (2z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-n'-(pyridin-2-yl)prop-2-enehydrazide

    2. 2-propenoic Acid, 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-, 2-(2-pyridinyl)hydrazide, (2z)-

    3. Kpt-335

    4. Kpt335

    2.3.2 Depositor-Supplied Synonyms

    1. 1392136-43-4

    2. Verdinexor (kpt-335)

    3. Kpt-335

    4. 85q03215iw

    5. (z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-n'-(pyridin-2-yl)acrylohydrazide

    6. (2z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-n'-(pyridin-2-yl)prop-2-enehydrazide

    7. 2-propenoic Acid, 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-, 2-(2-pyridinyl)hydrazide, (2z)-

    8. Kpt335

    9. (z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-n'-pyridin-2-ylprop-2-enehydrazide

    10. Verdinexor [usan:inn]

    11. Unii-85q03215iw

    12. Verdinexor [inn]

    13. Kpt335;verdinexor

    14. Verdinexor (usan/inn)

    15. Verdinexor [usan]

    16. Chembl3545187

    17. Schembl14678337

    18. Ex-a871

    19. Kpt 335

    20. Dtxsid301022535

    21. Bcp11733

    22. S7707

    23. Zinc205957597

    24. Ccg-269150

    25. Db12207

    26. Ncgc00386421-08

    27. Ac-32682

    28. Bs-15021

    29. D11223

    30. J-690155

    31. Q27269660

    32. 2-[(5-chloro-2-{[4-(1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]-n-methylbenzamide

    33. (z)-3-(3-(3,5-bis-(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-n'-(pyridin-2-yl)acrylohydrazide

    34. 1656285-28-7

    2.4 Create Date
    2013-06-10
    3 Chemical and Physical Properties
    Molecular Weight 442.3 g/mol
    Molecular Formula C18H12F6N6O
    XLogP34.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count5
    Exact Mass442.09767800 g/mol
    Monoisotopic Mass442.09767800 g/mol
    Topological Polar Surface Area84.7 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity620
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY