ADU-S100

Description: ADU-S100, also known as , is a Cyclic Dinucleotide Agonist of STING (Stimulator of Interferon Genes) pathway.

Name: ADU-S100
CAS#: 1638750-95-4 (sodium)
Chemical Formula: C20H22N10Na2O10P2S2
Exact Mass:
Molecular Weight: 734.5031
Elemental Analysis: C, 32.71; H, 3.02; N, 19.07; Na, 6.26; O, 21.78; P, 8.43; S, 8.73

Synonym: ADU-S100; ADU S100; ADUS100; ML RR-S2 CDA sodium salt; MIW815; MIW-815; MIW 815;

IUPAC/Chemical Name: (2',3')-Rp,Rpc-diAMPS disodium

InChi Key: GDWOOOCBNOMMTL-ITQXCAEYSA-L

InChi Code: 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

SMILES Code: O[C@@H]1[C@@H](CO[P@@]([S-])(O[C@H]2[C@@H](O)[C@H](N3C4=C(C(N)=NC=N4)N=C3)O[C@@H]2CO5)=O)O[C@@H](N6C7=C(C(N)=NC=N7)N=C6)[C@@H]1O[P@@]5([S-])=O.[Na+].[Na+]

Appearance: Solid powder