Grundinformationen
- Standard-SMILES
O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]- InChIKey
OWTGMPPCCUSXIP-FNXFGIETSA-J- Summenformel
- C18H22N4Na4O23P4
- Durchschnittliche Molmasse
- 878,2 g/mol
Überblick
See also: Diquafosol (has active moiety).
Namen und Bezeichner
- Bevorzugter Name
- Diquafosol Tetrasodium
- IUPAC
- tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
- Englischer Name
- Diquafosol Tetrasodium
- Summenformel
- C18H27N4NaO23P4
- Molmasse
- 814.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
211427-08-6- PubChem CID
- 148196
- ChEMBL
CHEMBL1767408- UNII
- X8T9SBH9LL
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 405 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 23
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 53
- Formalladung
- 0
- Komplexität
- 1.460
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 1 · DMSO:1.0(Max Conc. mg/mL);1.14(Max Conc. mM)Water:100.0(Max Conc. mg/mL);113.86(Max Conc. mM)
- Aggregatzustand
- A solid
- Farbe
- White to off-white
- Wasserlöslichkeit
- 2 O: · H2O: 2mg/mL, clear
- InChIKey
- XPZQVLUPTGTIJP-NIBQMMLDNA-N
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungDiquafosol (INS-365) was approved in Japan in 2010 as a 3% ophthalmic solution for treatment of dry eye disease. Clinical diagnosis of dry eye is difficult because the condition presents a variety of symptoms. Treatment options include tear supplements (lubricants), anti-inflammatory drugs (e.g., cyclosporine eye drops or steroid eye drops), and tear retention devices. Diquafosol is a unique agent for the treatment of dry eye in that it acts as a P2Y2 purinergic receptor agonist with the ability to activate this receptor on the ocular surface and stimulate water, lipid, and mucin secretion. Diquafosol is metabolized by phosphodiesterases to UTP, UDP, UMP, and uridine. Diquafosol has been well tolerated in clinical trials, with side effects being local to the ocular surface.In addition,no serious ocular or systemic adverse drug reactions were found during the clinical trials.
VerwendenEnhancement of mucosal hydration in the treatment of chronic dry eye (P2Y2 receptor antagonist).
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