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Chemical structure of 2-MSP-5-HA-GGFG-NH-CH2-O-CH2-CO-Exatecan

GC75667

2-MSP-5-HA-GGFG-NH-CH2-O-CH2-CO-Exatecan

Also known as N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(2-methylsulfonylpyrimidin-5-yl)hex-5-ynamide

2-MSP-5-HA-GGFG-NH-CH2-O-CH2-CO-Exatecan is a drug-linker conjugates for ADC, consiting of a cleavable linker and Exatecan

ChemicalCAS2964536-59-0MW1091.13FormulaC53H55FN10O13S
CAS number
2964536-59-0
Molecular weight
1091.13
Formula
C53H55FN10O13S
Solubility
DMSO： 200 mg/mL (183·30 mM; Need ultrasonic)
InChIKey
NHWYUGQZZZWOGL-JWSBGTHYSA-N
Catalogue number
GC75667
Brand
GLPBIO
Computed properties PubChem CID 171038185 · XLogP 0.2 · TPSA 332 Ų · H-bond donors 7
XLogP
0.2
TPSA
332 Ų
H-bond donors
7
H-bond acceptors
17
Rotatable bonds
21
Heavy atoms
78

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCC#CC8=CN=C(N=C8)S(=O)(=O)C)O

Computed descriptors from PubChem (CID 171038185), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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