Mal-PEG4-VA-PBD - CAS 2259318-50-6
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Mal-PEG4-VA-PBD - CAS 2259318-50-6 Catalog number: BADC-00670

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Mal-PEG4-VA-PBD is a drug-linker conjugate for ADC by using the antitumor antibiotic, Pyrrolobenzodiazepine (PBD), linked via Mal-PEG4-VA.

Category
ADCs Cytotoxin
Product Name
Mal-PEG4-VA-PBD
CAS
2259318-50-6
Catalog Number
BADC-00670
Molecular Formula
C70H83N9O17
Molecular Weight
1322.46
Mal-PEG4-VA-PBD

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BADC-00670 -- $--
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Description
Mal-PEG4-VA-PBD is a drug-linker conjugate for ADC by using the antitumor antibiotic, Pyrrolobenzodiazepine (PBD), linked via Mal-PEG4-VA.
IUPAC Name
(2S)-N-[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanamide
Canonical SMILES
C[C@@]12N(C(C3=CC(OC)=C(OCCCOC4=C(C=C5C(N=C[C@]6(C)N(C=C(C7=CC=C(OC)C=C7)C6)C5=O)=C4)OC)C=C3N=C2)=O)C=C(C8=CC=C(NC([C@H](C)NC([C@H](C(C)C)NC(CCOCCOCCOCCOCCNC(CCN9C(C=CC9=O)=O)=O)=O)=O)=O)C=C8)C1
InChI
InChI=1S/C68H79N9O17/c1-42(2)64(74-61(79)19-24-89-26-28-91-30-31-92-29-27-90-25-20-69-60(78)18-21-75-62(80)16-17-63(75)81)66(83)72-43(3)65(82)73-48-12-8-44(9-13-48)46-32-49-38-70-54-36-58(56(87-5)34-52(54)67(84)76(49)40-46)93-22-7-23-94-59-37-55-53(35-57(59)88-6)68(85)77-41-47(33-50(77)39-71-55)45-10-14-51(86-4)15-11-45/h8-17,34-43,49-50,64H,7,18-33H2,1-6H3,(H,69,78)(H,72,83)(H,73,82)(H,74,79)/t43-,49-,50-,64-/m0/s1
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Historical Records: (2,5-dioxopyrrolidin-1-yl) 4-(methyldisulfanyl)butanoate | Tesirine | Mal-PEG4-VA-PBD
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