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Chemical structure of Br-Val-Ala-NH2-bicyclo[1.1.1]pentane-7-MAD-MDCPT

GC73205

Br-Val-Ala-NH2-bicyclo[1.1.1]pentane-7-MAD-MDCPT

Also known as (2S)-2-[(2-bromoacetyl)amino]-N-[(2S)-1-[[3-[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl]-1-bicyclo[1.1.1]pentanyl]amino]-1-oxopropan-2-yl]-3-methylbutanamide

Br-Val-Ala-NH2-bicyclo[1.1.1]pentane-7-MAD-MDCPT (Formula V) is a agent-linker conjugate that composed of a potent topoisomerase I inhibitor and a linker to make antibody agent conjugate (ADC)

ChemicalCAS2857037-70-6MW764.62FormulaC36H38BrN5O9
CAS number
2857037-70-6
Molecular weight
764.62
Formula
C36H38BrN5O9
Solubility
DMSO ： 100 mg/mL (130·78 mM; Need ultrasonic)
InChIKey
RCIVGZZPQGHOGN-JLVKPTLHSA-N
Catalogue number
GC73205
Brand
GLPBIO
Computed properties PubChem CID 166043507 · XLogP 1.9 · TPSA 185 Ų · H-bond donors 4
XLogP
1.9
TPSA
185 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
51

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)C78CC(C7)(C8)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CBr)O

Computed descriptors from PubChem (CID 166043507), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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