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Chemical structure of c-di-AMP sodium

GC62198

c-di-AMP sodium

Also known as disodium;(1S,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dioxido-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol

C-di-AMP is a STING agonist, which binds to the transmembrane protein STING, thereby activating the TBK3-IRF3 signaling pathway, subsequently triggering the production of type I IFN and TNF

ChemicalCAS2734909-87-4MW702.38FormulaC20H22N10Na2O12P2
CAS number
2734909-87-4
Molecular weight
702.38
Formula
C20H22N10Na2O12P2
Solubility
DMSO ： 270 mg/mL (384·41 mM; Need ultrasonic); H2O ： ≥ 50 mg/mL (71·19 mM)
InChIKey
IXWPEIRAKLMJQW-VEQUCWRQSA-L
Catalogue number
GC62198
Brand
GLPBIO
Computed properties PubChem CID 122714672 · TPSA 315 Ų · H-bond donors 4 · H-bond acceptors 20
TPSA
315 Ų
H-bond donors
4
H-bond acceptors
20
Rotatable bonds
2
Heavy atoms
46

SMILES C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)[O-])[O-].[Na+].[Na+]

Computed descriptors from PubChem (CID 122714672), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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