ML RR-S2 CDA Sodium Salt
disodium;(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-12-oxido-3-oxo-12-sulfanylidene-3-sulfido-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
Molecular Identity
ML RR-S2 CDA Sodium Salt
disodium;(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-12-oxido-3-oxo-12-sulfanylidene-3-sulfido-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
PubChem CID: 135390762
2D Structure
Properties
C20H22N10Na2O10P2S2
Molecular Formula
734.50
Molecular Weight
g/mol
734.0232
Exact Mass
Da
308
TPSA
May have limited oral absorption
4
H-Bond Donors
20
H-Bond Acceptors
1180
Complexity
SMILES
Canonical SMILES
SMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OP(=O)(OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=S)(O1)[O-])[S-])O.[Na+].[Na+]Isomeric SMILES
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=S)(O1)[O-])[S-])O.[Na+].[Na+]Synonyms(20)
1638750-95-4ADU-S100ML RR-S2 CDA Sodium SaltMIW815Cdn agonist adu-S100FMW9ZVF53NADU S100 [WHO-DD]MW-815Sting-activating cyclic dinucleotide agonist MIW815(2',3')-Rp,Rpc-diAMPS disodium1638750-95-4 (sodium)ADU-S100 disodiumADU-S100 sodium saltUNII-FMW9ZVF53NML RR-S2 CDA disodium
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to ML RR-S2 CDA Sodium Salt
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