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Chemical structure of Vc-seco-DUBA

GC63356

Vc-seco-DUBA

Also known as [(1S)-1-(chloromethyl)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxycarbonylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate

Vc-seco-DUBA (SYD985) is a drug-linker conjugate for ADC with potent antitumor activity by using DUBA (DNA alkylating agent), linked via the ADC linker Vc-seco

ChemicalCAS1345681-58-4MW1331.81FormulaC65H75ClN12O17
CAS number
1345681-58-4
Molecular weight
1331.81
Formula
C65H75ClN12O17
Solubility
DMSO ： 146·67 mg/mL (110·13 mM; ultrasonic and warming and heat to 60°C)
InChIKey
RFQYSAASDBNNDZ-UCGHAGIGSA-N
Catalogue number
GC63356
Brand
GLPBIO
Computed properties PubChem CID 88899540 · XLogP 4.2 · TPSA 374 Ų · H-bond donors 8
XLogP
4.2
TPSA
374 Ų
H-bond donors
8
H-bond acceptors
18
Rotatable bonds
34
Heavy atoms
95

SMILES CC1=C2C(=CC=C1)C(=CC3=C2[C@@H](CN3C(=O)C4=CN5C=C(C=CC5=N4)NC(=O)C6=CC=C(C=C6)O)CCl)OC(=O)N(CCN(C)C(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)OCCOCCN8C(=O)C=CC8=O)CCOCCO

Computed descriptors from PubChem (CID 88899540), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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