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Chemical structure of Mc-VC-PAB-SN38

GC61036

Mc-VC-PAB-SN38

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl [(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate

Mc-VC-PAB-SN38 consists a cleavable ADC linker (Mc-VC-PAB) and a DNA topoisomerase I inhibitor (SN38)· Mc-VC-PAB-SN38 can be used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1801838-28-7MW991.05FormulaC51H58N8O13
CAS number
1801838-28-7
Molecular weight
991.05
Formula
C51H58N8O13
Solubility
DMSO： 28·57 mg/mL (28·83 mM)
InChIKey
CNDJKXYZKSJFNL-XLPKKHSNSA-N
Catalogue number
GC61036
Brand
GLPBIO
Computed properties PubChem CID 146160908 · XLogP 2.9 · TPSA 295 Ų · H-bond donors 6
XLogP
2.9
TPSA
295 Ų
H-bond donors
6
H-bond acceptors
14
Rotatable bonds
23
Heavy atoms
72

SMILES CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)OC(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN6C(=O)C=CC6=O)C2=NC7=C1C=C(C=C7)O

Computed descriptors from PubChem (CID 146160908), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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