Deruxtecan CAS 1599440-13-7

Deruxtecan CAS 1599440-13-7

  • Identification
  • Properties
  • Safety Data
  • Specifications & Other Information
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  • Identification

    CAS Number

    1599440-13-7

    Name

    Deruxtecan

    Synonyms

    Glycinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]glycylglycyl-L-phenylalanyl-N-[[2-[[(1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de ]pyrano[3′,4′:6,7]indolizino[1,2-b]quinolin-1-yl]amino]-2-oxoethoxy]methyl]- [ACD/Index Name]
    N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[(2-{[(1S,9S)-9-ethyl-5-fluor-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3′,4′:6,7 ]indolizino[1,2-b]chinolin-1-yl]amino}-2-oxoethoxy)methyl]glycinamid [German] [ACD/IUPAC Name]
    N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phénylalanyl-N-[(2-{[(1S,9S)-9-éthyl-5-fluoro-9-hydroxy-4-méthyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3′,4′:6, 7]indolizino[1,2-b]quinoléin-1-yl]amino}-2-oxoéthoxy)méthyl]glycinamide [French] [ACD/IUPAC Name]
    N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[(2-{[(1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3′,4′:6, 7]indolizino[1,2-b]quinolin-1-yl]amino}-2-oxoethoxy)methyl]glycinamide [ACD/IUPAC Name]
    1599440-13-7 [RN]
    6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
    Deruxtecan
    Deruxtecan Analog

    SMILES

    CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc(c(c6c5c4[C@H](CC6)NC(=O)COCNC(=O)CNC(=O)[C@H](Cc7ccccc7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)C)F)O

    StdInChI

    InChI=1S/C52H56FN9O13/c1-3-52(73)33-19-38-48-31(24-62(38)50(71)32(33)25-75-51(52)72)47-35(14-13-30-28(2)34(53)20-36(60-48)46(30)47)58-43(67)26-74-27-57-41(65)22-56-49(70)37(18-29-10-6-4-7-11-29)59-42(66)23-55-40(64)21-54-39(63)12-8-5-9-17-61-44(68)15-16-45(61)69/h4,6-7,10-11,15-16,19-20,35,37,73H,3,5,8-9,12-14,17-18,21-27H2,1-2H3,(H,54,63)(H,55,64)(H,56,70)(H,57,65)(H,58,67)(H,59,66)/t35-,37-,52-/m0/s1

    StdInChIKey

    WXNSCLIZKHLNSG-MCZRLCSDSA-N

    Molecular Formula

    C52H56FN9O13

    Molecular Weight

    1034.052

    MDL Number

    MFCD31657445

    Properties

    Appearance

    Light yellow powder

    Safety Data

    Symbol

    exclamation-mark-jpgGHS06

    Signal Word

    Danger

    Hazard statements

    H301

    Precautionary Statements

    P501-P270-P264-P301+P310+P330-P405

    RIDADR 

    NONH for all modes of transport

    WGK Germany

    3

    Specifications and Other Information of Our Deruxtecan CAS 1599440-13-7

    Identification Methods

    HNMR, HPLC

    Purity

    99% min

    Total Impurities

    1%max

    Shelf Life

    2 years

    Storage

    Under room temperature away from light

    Productivity

    Always hold the stock of kilograms

    Known Application

    Trastuzumab-drutican (DS-8201) is an antibody drug conjugate (ADC) composed of a humanized anti-HER2 monoclonal antibody (Trastuzumab), a cleavable tetrapeptide-based linker and a cytotoxic peptide. Chemicalbook isomerase I inhibitor (DXd), which prevents cancer cells from replicating DNA, leading to cancer cell death. Trastuzumab-derutecan is approved for the treatment of patients with HER2-positive metastatic breast and gastric cancer.

    This product is developed by our R&D company Watson International Ltd (https://www.watson-int.com/).