≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
STING ligand-1 is a lead STING ligand with an IC 50 of 68 nM for HAQ STING
In Vitro
STING ligand-1 (Compound 18) exhibits functional inhibition of STING mediated cytokine release. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 68 nM (HAQ STING)
| Canonical Smiles | CC(C)(C)C1=C(C=C(C=C1)N2C(C(C3=C(C2=O)C=C(C=C3)F)CC(=O)O)C4=CC5=C(C=C4)OCCO5)Cl |
|---|---|
| IUPAC Name | 2-[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-3,4-dihydroisoquinolin-4-yl]acetic acid |
| InChIKey | JAIAHSWXASHNQH-CCLHPLFOSA-N |
| INCHI | 1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)/t20-,27+/m0/s1 |
| Isomeric SMILES | CC(C)(C)C1=C(C=C(C=C1)N2[C@@H]([C@H](C3=C(C2=O)C=C(C=C3)F)CC(=O)O)C4=CC5=C(C=C4)OCCO5)Cl |
| PubChem CID | 135393515 |
| Molecular Weight | 523.98 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Tetrahydroisoquinolines Benzo-1,4-dioxanes Phenylpropanes Chlorobenzenes Alkyl aryl ethers Para dioxins Aryl fluorides Aryl chlorides Tertiary carboxylic acid amides Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Tetrahydroisoquinoline - Benzodioxane - Benzo-1,4-dioxane - Phenylpropane - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Para-dioxin - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Solubility | DMSO : 100 mg/mL (190.85 mM; Need ultrasonic) |
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