Seco-DUBA - CAS 1227961-59-2

Seco-DUBA - CAS 1227961-59-2 Catalog number: BADC-01400

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seco-DUBA hydrochloride is a cell-permeable pro-drug that is cleaved into the active toxin (DUBA) in intracellular lysosomes by proteases, after internalization. The payload then alkylates the DNA, causing DNA damage and cell death.

Category
ADCs Cytotoxin
Product Name
Seco-DUBA
CAS
1227961-59-2
Catalog Number
BADC-01400
Molecular Formula
C29H23ClN4O4
Molecular Weight
526.97
Purity
95%
Seco-DUBA

Ordering Information

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Related Molecules

Description
seco-DUBA hydrochloride is a cell-permeable pro-drug that is cleaved into the active toxin (DUBA) in intracellular lysosomes by proteases, after internalization. The payload then alkylates the DNA, causing DNA damage and cell death.
Synonyms
Seco-duocarmycin; (S)-N-(2-(9-chloro-1-ethyl-5-hydroxy-2,3-dihydro-1H-benzo[e]indole-3-carbonyl)imidazo[1,2-a]pyridin-6-yl)-4-hydroxybenzamide; Benzamide, N-[2-[[(1S)-1-(chloromethyl)-1,2-dihydro-5-hydroxy-9-methyl-3H-benz[e]indol-3-yl]carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-hydroxy-; N-[2-[[(1S)-1-(Chloromethyl)-1,2-dihydro-5-hydroxy-9-methyl-3H-benz[e]indol-3-yl]carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide
IUPAC Name
N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-4-hydroxybenzamide
Canonical SMILES
CC1=C2C(=CC=C1)C(=CC3=C2C(CN3C(=O)C4=CN5C=C(C=CC5=N4)NC(=O)C6=CC=C(C=C6)O)CCl)O
InChI
InChI=1S/C29H23ClN4O4/c1-16-3-2-4-21-24(36)11-23-27(26(16)21)18(12-30)13-34(23)29(38)22-15-33-14-19(7-10-25(33)32-22)31-28(37)17-5-8-20(35)9-6-17/h2-11,14-15,18,35-36H,12-13H2,1H3,(H,31,37)/t18-/m1/s1
InChIKey
VQAFBYLFRCCWNB-GOSISDBHSA-N
Density
1.47±0.1 g/cm3
Appearance
Solid
Storage
Store at -20°C and under nitrogen
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

Historical Records: Seco-DUBA
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