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Chemical structure of MethylCBI-azaindole-benzamide-MOM-Boc-ethylenediamine-D

GC64509

MethylCBI-azaindole-benzamide-MOM-Boc-ethylenediamine-D

Also known as tert-butyl N-[2-[[(1S)-1-(chloromethyl)-3-[6-[[4-(methoxymethoxy)benzoyl]amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl]oxycarbonyl-[2-(2-hydroxyethoxy)ethyl]amino]ethyl]-N-methylcarbamate

MethylCBI-azaindole-benzamide-MOM-Boc-ethylenediamine-D is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS2222445-87-4MW859.36FormulaC44H51ClN6O10
CAS number
2222445-87-4
Molecular weight
859.36
Formula
C44H51ClN6O10
InChIKey
VQQZUHVNVDPTLO-SSEXGKCCSA-N
Catalogue number
GC64509
Brand
GLPBIO
Computed properties PubChem CID 134433214 · XLogP 5.7 · TPSA 174 Ų · H-bond donors 2
XLogP
5.7
TPSA
174 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
19
Heavy atoms
61

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)OCOC)CCl)OC(=O)N(CCN(C)C(=O)OC(C)(C)C)CCOCCO

Computed descriptors from PubChem (CID 134433214), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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