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Chemical structure of Mc-Val-Cit-PAB-Cl

GC61034

Mc-Val-Cit-PAB-Cl

Also known as N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(chloromethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide

Mc-Val-Cit-PAB-Cl is a cleavable ADC linker· Mc-Val-Cit-PAB-Cl can be used to conjugate MMAE and antibody to form antibody-MC-vc-MMAE (e·g·, anti-CD22-MC-VC-PABC-MMAE with IC50s of 3·3 and 0·95 nM for BJAB and WSU cell lines in cytotoxicity assay)

ChemicalCAS1639351-92-0MW591.1FormulaC28H39ClN6O6
CAS number
1639351-92-0
Molecular weight
591.1
Formula
C28H39ClN6O6
InChIKey
TUMQZNBKSWFFAZ-OFVILXPXSA-N
Catalogue number
GC61034
Brand
GLPBIO
Computed properties PubChem CID 117719308 · XLogP 1.3 · TPSA 180 Ų · H-bond donors 5
XLogP
1.3
TPSA
180 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
17
Heavy atoms
41

SMILES CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CCl)NC(=O)CCCCCN2C(=O)C=CC2=O

Computed descriptors from PubChem (CID 117719308), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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