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Dazostinag disodium

CAT: 0931-T72482-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0931-T72482-01Size:100 µg
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CAS Number
2553413-93-5
Target
STING
Related Pathways
Immunology/Inflammation
Purity
>99.99%
Bioactivity
Dazostinag disodium (TAK-676) is a synthetic novel interferon gene (STING) agonist that triggers STING signaling pathway activation and type I interferon activation. Dazostinag disodium (TAK-676) is also a highly effective immune system modulator with complete resolution and lasting memory of T cell immunity and the ability to promote lasting interferon-dependent anti-tumor immune responses.
Smiles
O[C@H]1[C@@]2([C@@H](O[C@@]1(COP([S-])(O[C@@]3([C@@]([H])(COP([S-])(O2)=O)O[C@H]([C@@H]3F)N4C5=NC=NC(N)=C5N=C4)[H])=O)[H])N6C7=C(C(F)=C6)C(N=CN7)=O)[H].[Na+].[Na+]
Molecular Formula
C21H20F2N8Na2O10P2S2
Molecular Weight
754.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dazostinag disodium

Dazostinag Disodium is the disodium salt form of dazostinag, an agonist of the stimulator of interferon genes protein (STING; transmembrane protein 173; TMEM173), with potential immunoactivating and antineoplastic activities. Upon intravenous administration, dazostinag targets and binds to STING and activates the STING pathway in immune cells in the tumor microenvironment (TME). This leads to the production of pro-inflammatory cytokines, including interferons (IFNs), enhances the cross-presentation of tumor-associated antigens (TAAs) by dendritic cells (DCs), and induces a cytotoxic T-lymphocyte (CTL)-mediated immune response against cancer cells. STING, a transmembrane protein that activates immune cells in the TME, plays a key role in the activation of the innate immune system.

CAS Number2553413-93-5
PubChem CID165412584
IUPAC Namedisodium;7-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9-fluoro-18-hydroxy-12-oxido-3-oxo-12-sulfanylidene-3-sulfido-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
Molecular FormulaC21H20F2N8Na2O10P2S2
Molecular Weight754.5
Topological Polar Surface Area265
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count19
Rotatable Bond Count2
Heavy Atom Count47
Formal Charge0
Complexity1300
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C4=C3N=CNC4=O)F)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)F)OP(=S)(O1)[O-])[S-])O.[Na+].[Na+]
InChI
InChI=1S/C21H22F2N8O10P2S2.2Na/c22-7-1-30(17-10(7)19(33)28-5-26-17)21-15-13(32)8(38-21)2-36-42(34,44)40-14-9(3-37-43(35,45)41-15)39-20(11(14)23)31-6-29-12-16(24)25-4-27-18(12)31;;/h1,4-6,8-9,11,13-15,20-21,32H,2-3H2,(H,34,44)(H,35,45)(H2,24,25,27)(H,26,28,33);;/q;2*+1/p-2/t8-,9-,11-,13-,14-,15-,20-,21-,42?,43?;;/m1../s1
InChIKey
DSMDURFDSXGNPW-RLKXMDTLSA-L
Chemical Structure
2D Structure
2D structure of Dazostinag disodium
CAS: 2553413-93-5
CID: 165412584
Formula: C21H20F2N8Na2O10P2S2
MW: 754.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight754.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count19
Rotatable Bond Count2
Exact Mass753.99825010
Monoisotopic Mass753.99825010
Topological Polar Surface Area265 Ų
Heavy Atom Count47
Formal Charge0
Complexity1300
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

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