CAS 1599440-13-7: Deruxtecan
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Deruxtecan, CAS 1599440-13-7:

Deruxtecan, CAS 1599440-13-7, Stock 198g, Assay 99.15%, White powder, Water 0.19%, Single Impurity 0.17%.

NIBR-189

Deruxtecan, a topoisomerase I inhibitor, is an exatecan derivative (DX-8951 derivative) with a cleavable pepetide linker and a maleimide group. The maleimide group in Deruxtecan can react with antibody to form antibody-drug conguates (ADC) such as Trastuzumab deruxtecan (DS-8201a), which is a HER2-targeting antibody–drug conjugate. DS-8201a significantly suppressed tumor growth in an immunocompetent mouse model with human HER2-expressing CT26.WT (CT26.WThHER2) cells. DS-8201a was approved in 2019.

Product Details:

Name: Deruxtecan

CAS#: 1599440-13-7

Chemical Formula: C52H56FN9O13

Exact Mass: 1033.3982

Molecular Weight: 1034.0684

Elemental Analysis: C, 60.40; H, 5.46; F, 1.84; N, 12.19; O, 20.11

Specification:

Synonym: Deruxtecan, Trastuzumab deruxtecan; DS-8201a; DS8201a; DS 8201a; exatecan derivative; DX-8951 derivative; DX 8951; DX8951;

IUPAC/Chemical Name: 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,12Hbenzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl]amino]-2-oxoethoxy]methyl]-

InChi Key: WXNSCLIZKHLNSG-MCZRLCSDSA-N

InChi Code: 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

SMILES Code: CC[C@@]1(O)C(OCC2=C1C=C3N(C2=O)CC(C3=NC4=CC(F)=C5C)=C6C4=C5CC[C@@H]6NC(COCNC(CNC([C@@H](NC(CNC(CNC(CCCCCN7C(C=CC7=O)=O)=O)=O)=O)CC8=CC=CC=C8)=O)=O)=O)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Certification: