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MSA-2

CAT: 0013-GTR19157088-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19157088-01Size:1 g
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Description
MSA-2, a potent and orally available non-nucleotide STING agonist, has EC50s of 8.3 and 24 μM for human STING isoforms WT and HAQ, respectively. MSA-2 shows antitumor activity and stimulates interferon-β secretion in tumors, induces tumor regression with durable antitumor immunity, and synergizes with anti-PD-1 in syngeneic mouse tumor models.
CAS Number
129425-81-6
Purity
>98% (HPLC)
Solubility
DMSO : 50 mg/mL (169.88 mM; ultrasonic and warming and heat to 80°C)
Smiles
O=C (C1=CC (C (S1) =C2) =CC (OC) =C2OC) CCC (O) =O
Molecular Formula
O=C (C1=CC (C (S1) =C2) =CC (OC) =C2OC) CCC (O) =O
Molecular Weight
294.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-(5,6-Dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
CAS Number129425-81-6
PubChem CID23035251
IUPAC Name4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
Molecular FormulaC14H14O5S
Molecular Weight294.32
XLogP2.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity373
SMILES
COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC(=O)O)OC
InChI
InChI=1S/C14H14O5S/c1-18-10-5-8-6-13(9(15)3-4-14(16)17)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKey
APCLRHPWFCQIMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5,6-Dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
CAS: 129425-81-6
CID: 23035251
Formula: C14H14O5S
MW: 294.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.32
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass294.05619472
Monoisotopic Mass294.05619472
Topological Polar Surface Area101 Ų
Heavy Atom Count20
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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