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CGAMP disodium

CAT: 0013-GTR19231455-02Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231455-02Size:500 µg
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Description
CGAMP disodium is a bacterial cyclic dinucleotide that functions as a potent STING agonist, triggering type I interferon responses. It is widely used in immunology research as a sublingual adjuvant to enhance mucosal and systemic antibody responses in both in vitro and in vivo studies.
CAS Number
2407516-83-8
Field of Research
Immunology & Inflammation, Metabolism Research
Smiles
O[C@H]1[C@@H] (O[C@@]2 ([H]) [C@@]1 ([H]) OP (O) (OC[C@]3 ([H]) [C@@] ([C@H] ([C@H] (N4C5=NC=NC (N) =C5N=C4) O3) O) ([H]) OP (O) (OC2) =O) =O) N6C7=C (C (N=C (N7) N) =O) N=C6.[Na].[Na]
Molecular Formula
C20H24N10O13P2.2Na
Molecular Weight
720.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

cGAMP disodium
CAS Number2407516-83-8
PubChem CID137120249
IUPAC Namedisodium;2-amino-9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-dihydroxy-3,12-dioxido-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
Molecular FormulaC20H22N10Na2O13P2
Molecular Weight718.4
Topological Polar Surface Area331
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count2
Heavy Atom Count47
Formal Charge0
Complexity1290
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)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+]
InChI
InChI=1S/C20H24N10O13P2.2Na/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33;;/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33);;/q;2*+1/p-2/t6-,7-,10-,11-,12-,13-,18-,19-;;/m1../s1
InChIKey
MFPHQIYDBUVTRL-DQNSRKNCSA-L
Chemical Structure
2D Structure
2D structure of cGAMP disodium
CAS: 2407516-83-8
CID: 137120249
Formula: C20H22N10Na2O13P2
MW: 718.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight718.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count2
Exact Mass718.06384335
Monoisotopic Mass718.06384335
Topological Polar Surface Area331 Ų
Heavy Atom Count47
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes