Mal-PEG4-VC-PAB-DMEA-Seco-Duocarmycin SA - CAS 2259318-49-3

Mal-PEG4-VC-PAB-DMEA-Seco-Duocarmycin SA - CAS 2259318-49-3 Catalog number: BADC-00865

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Mal-PEG4-VC-PAB-DMEA-Seco-Duocarmycin SA is a drug-linker conjugate for ADC by using the antitumor antibiotic, Duocarmycin SA, linked via Mal-PEG4-VC-PAB-DMEA-Seco.

Category
ADCs Cytotoxin
Product Name
Mal-PEG4-VC-PAB-DMEA-Seco-Duocarmycin SA
CAS
2259318-49-3
Catalog Number
BADC-00865
Molecular Formula
C67H87ClN12O21
Molecular Weight
1431.93

Ordering Information

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BADC-00865 -- $--
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Description
Mal-PEG4-VC-PAB-DMEA-Seco-Duocarmycin SA is a drug-linker conjugate for ADC by using the antitumor antibiotic, Duocarmycin SA, linked via Mal-PEG4-VC-PAB-DMEA-Seco.
IUPAC Name
methyl (8S)-4-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl-methylcarbamoyl]oxy-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
Canonical SMILES
CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)N(C)CCN(C)C(=O)OC2=C3C(=C4C(CN(C4=C2)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CCl)C=C(N3)C(=O)OC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN7C(=O)C=CC7=O
InChI
InChI=1S/C67H87ClN12O21/c1-39(2)56(76-52(82)18-24-96-26-28-98-30-31-99-29-27-97-25-20-70-51(81)17-21-79-53(83)15-16-54(79)84)62(86)75-45(10-9-19-71-65(69)89)61(85)72-43-13-11-40(12-14-43)38-100-66(90)77(3)22-23-78(4)67(91)101-49-35-48-55(44-34-47(64(88)95-8)74-58(44)49)42(36-68)37-80(48)63(87)46-32-41-33-50(92-5)59(93-6)60(94-7)57(41)73-46/h11-16,32-35,39,42,45,56,73-74H,9-10,17-31,36-38H2,1-8H3,(H,70,81)(H,72,85)(H,75,86)(H,76,82)(H3,69,71,89)/t42-,45+,56+/m1/s1
Solubility
10 mm in DMSO
Appearance
Solid
Purity
>98.0%
Shelf Life
0-4℃ for short term (days to weeks), or -20℃ for long term (months).
Shipping
Room temperature
Storage
-20°C
Form
Solid
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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