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Chemical structure of vc-PABC-DM1

GC73121

vc-PABC-DM1

Also known as [(1S,2R,3S,5S,6S,16Z,18Z,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] (2S)-2-[3-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methylsulfanyl]propanoyl-methylamino]propanoate

vc-PABC-DM1 used to synthesize an ADC molecule based on utilize disulfide linker· vc-PABC-DM1 can be used to explore serum stability

ChemicalCAS1416792-90-9MW1099.73FormulaC53H75ClN8O13S
CAS number
1416792-90-9
Molecular weight
1099.73
Formula
C53H75ClN8O13S
Solubility
DMSO : 100 mg/mL (90·93 mM; Need ultrasonic)
InChIKey
VPFJBLCYMSCFKX-QGIKLSNQSA-N
Catalogue number
GC73121
Brand
GLPBIO
Computed properties PubChem CID 170900504 · XLogP 2.5 · TPSA 321 Ų · H-bond donors 7
XLogP
2.5
TPSA
321 Ų
H-bond donors
7
H-bond acceptors
15
Rotatable bonds
20
Heavy atoms
76

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)CCSCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)N)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 170900504), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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