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Chemical structure of MSA-2 dimer

GC63082

MSA-2 dimer

Also known as 4-[5-[3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]propyl]-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid

MSA-2 dimer is a selective, orally active non-nucleotide STING agonist (Kd=145 μM) with long-term antitumor and immunogenic activity

ChemicalCAS2377881-92-8MW568.66FormulaC29H28O8S2
CAS number
2377881-92-8
Molecular weight
568.66
Formula
C29H28O8S2
InChIKey
SSYYPCWAUQMVJQ-UHFFFAOYSA-N
Catalogue number
GC63082
Brand
GLPBIO
Computed properties PubChem CID 139547051 · XLogP 5.6 · TPSA 184 Ų · H-bond donors 2
XLogP
5.6
TPSA
184 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
39

SMILES COC1=C(C=C2C=C(SC2=C1)C(=O)CCC(=O)O)CCCC3=C(C=C4C(=C3)C=C(S4)C(=O)CCC(=O)O)OC

Computed descriptors from PubChem (CID 139547051), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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