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Chemical structure of STING agonist-20

GC69959

STING agonist-20

Also known as N-[5-carbamoyl-1-[(E)-4-[6-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-7-(3-hydroxypropoxy)benzimidazol-2-yl]-4-ethyl-2-methyl-1,3-oxazole-5-carboxamide

STING agonist-20 (compound 95) is an effective STING agonist used in the synthesis of XMT-2056· It can be used as a vaccine adjuvant for cancer, inflammation, and research on immune diseases

ChemicalCAS2591300-72-8MW753.76FormulaC36H39N11O8
CAS number
2591300-72-8
Molecular weight
753.76
Formula
C36H39N11O8
Solubility
DMSO ： 80 mg/mL (106·13 mM; Need ultrasonic)
InChIKey
BSDFGBNCRMMRDC-BQYQJAHWSA-N
Catalogue number
GC69959
Brand
GLPBIO
Computed properties PubChem CID 155787013 · XLogP 2.1 · TPSA 274 Ų · H-bond donors 5
XLogP
2.1
TPSA
274 Ų
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
16
Heavy atoms
55

SMILES CCC1=C(OC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=N5)C(=O)N)N=C4NC(=O)C6=C(N=C(O6)C)CC)C(=CC(=C3)C(=O)N)OCCCO

Computed descriptors from PubChem (CID 155787013), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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