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Chemical structure of SPP-DM1

GC38478

SPP-DM1

Also known as (2,5-dioxopyrrolidin-1-yl) 4-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]pentanoate

SPP-DM1 is a drug-linker conjugate for ADC with potent antitumor activity by using DM1 (a potent microtubule-disrupting agent), linked via the ADC linker SPP

ChemicalCAS452072-20-7MW967.54FormulaC44H59ClN4O14S2
CAS number
452072-20-7
Molecular weight
967.54
Formula
C44H59ClN4O14S2
Solubility
Soluble in DMSO
InChIKey
ZMOVORWFEGTIJA-MUZJBSEYSA-N
Catalogue number
GC38478
Brand
GLPBIO
Computed properties PubChem CID 129896988 · XLogP 2.3 · TPSA 271 Ų · H-bond donors 2
XLogP
2.3
TPSA
271 Ų
H-bond donors
2
H-bond acceptors
16
Rotatable bonds
16
Heavy atoms
65

SMILES C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)CCC(=O)ON5C(=O)CCC5=O)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 129896988), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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