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sulfo-DGN462 sodium

  CAS No.: 1401203-09-5   Cat No.: BADC-01441 4.5  

sulfo-DGN46 sodium can be degraded to DGN462 in culture medium and plasma. DGN462 is a potent DNA alkylating agent with antitumor activity, such as against acute myeloid leukemia (AML).

sulfo-DGN462 sodium

Structure of 1401203-09-5

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ADC Cytotoxin
Molecular Formula
C53H60N5NaO12S2
Molecular Weight
1046.19

* For research and manufacturing use only. We do not sell to patients.

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Synonyms
sulfo-DGN462 (sodium)
IUPAC Name
sodium;(12aS)-9-[[3-[[(12aS)-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-(2-methyl-2-sulfanylpropyl)amino]phenyl]methoxy]-8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepine-12-sulfonate
Canonical SMILES
CC(C)(CN(CCOCCOCCOC)C1=CC(=CC(=C1)COC2=C(C=C3C(=C2)NC(C4CC5=CC=CC=C5N4C3=O)S(=O)(=O)[O-])OC)COC6=C(C=C7C(=C6)NCC8CC9=CC=CC=C9N8C7=O)OC)S.[Na+]
InChI
InChI=1S/C53H61N5O12S2.Na/c1-53(2,71)32-56(14-15-67-18-19-68-17-16-64-3)37-21-33(30-69-48-27-41-39(25-46(48)65-4)51(59)57-38(29-54-41)23-35-10-6-8-12-43(35)57)20-34(22-37)31-70-49-28-42-40(26-47(49)66-5)52(60)58-44-13-9-7-11-36(44)24-45(58)50(55-42)72(61,62)63;/h6-13,20-22,25-28,38,45,50,54-55,71H,14-19,23-24,29-32H2,1-5H3,(H,61,62,63);/q;+1/p-1/t38-,45-,50?;/m0./s1
InChIKey
RNHTWDMUNIEDKX-XSTPADGUSA-M

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