ADU-S100 sodiumProduct ingredient for ADU-S100
- Name
- ADU-S100 sodium
- Drug Entry
- ADU-S100
ADU-S100 (MIW815) is a synthetic cyclic dinucleotide (CDN) agonist (activator) of Stimulator of Interferon Genes (STING), a receptor crucial to activate the innate (endogenous) immune system. ADU-S100 (MIW815) activates all known human and mouse STINGs, and effectively induces the expression of cytokines and chemokines, leading to a robust and durable antigen-specific T-cell mediated immune response against cancer cells. 1
- Accession Number
- DBSALT002817
- Structure
Structure for ADU-S100 sodium (DBSALT002817)
- Synonyms
- Not Available
- UNII
- FMW9ZVF53N
- CAS Number
- 1638750-95-4
- Weight
- Average: 757.49
Monoisotopic: 757.01246255 - Chemical Formula
- C20H22N10Na3O10P2S2
- InChI Key
- GDWOOOCBNOMMTL-ITQXCAEYSA-L
- InChI
- InChI=1S/C20H24N10O10P2S2.2Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30;;/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26);;/q;2*+1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-,41-,42-;;/m1../s1
- IUPAC Name
- SMILES
- [Na+].[Na+].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2CO[P@]([S-])(=O)O[C@@H]3[C@H](O)[C@@H](CO[P@]([S-])(=O)O[C@H]2[C@H]1O)O[C@H]3N1C=NC2=C1N=CN=C2N
- External Links
- ChemSpider
- 81368034
- Predicted Properties
Property Value Source Water Solubility 4.79 mg/mL ALOGPS logP -0.93 ALOGPS logS -2.2 ALOGPS Rule of Five No Chemaxon Ghose Filter No Chemaxon