Chemical Compound

Deruxtecan

CAS Registry Number 1599440-13-7
Deruxtecan chemical structure
Primary Record

Deruxtecan

In stock
1,952 g
Purity
99.7 %
CAS
1599440-13-7

Compound Identifiers & Properties

CAS
1599440-13-7
PubChem CID
118305111
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O
Canonical SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)COCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)CC3

Names & Synonyms

  • Deruxtecan
  • Deruxtecan analog
  • Deruxtecan?
  • Mc-ggfg-dxd(1)
  • 1599440-13-7
  • Deruxtecan [USAN]
  • RefChem:200424
  • 5SEB972CO4
  • UNII-5SEB972CO4
  • MAAA-1162a
  • DERUXTECAN PYRROLE-2,5-DIONE
  • orb1308394
  • SCHEMBL17003548
  • SCHEMBL29436273
  • SCHEMBL30040905
  • DTXSID301374019
  • EX-A4318
  • BBF-05879
  • HY-13631E
  • MFCD31657445
  • AKOS040741623
  • AT21794
  • BP-41124
  • DA-62788
  • MS-31882
  • SY265378
  • CS-0045125
  • J3.759.423G
  • A937678
  • N-((S)-10-Benzyl-1-(((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)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamide
  • 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
  • Mal-Gly-Gly-L-Phe-N-[(carboxymethoxy)methyl]Glycinamide-Exatecan
  • 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)GLYCINAMIDE
  • 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-{[({[(1S)-1-[({[({[(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(24),2(14),6(11),12,15,17,19-heptaen-23-yl]carbamoyl}methoxy)methyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}hexanamide
  • 6-(2,5-dioxopyrrol-1-yl)-N-{[({[(1S)-1-[({[({[(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(24),2(14),6(11),12,15,17,19-heptaen-23-yl]carbamoyl}methoxy)methyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}hexanamide
  • 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
  • N-[(S)-10-Benzyl-1-[[(1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-1,2,3,9,10,12,13,15-octahydrobenzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl]amino]-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl]-6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamide,contains inverted exclamation markU5% solvents