Diquafosol Tetrasodium

HCID 148196
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Basic information

CAS
211427-08-6
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
Molecular formula
C18H22N4Na4O23P4
Average molar mass
878.2 g/mol

Overview

See also: Diquafosol (has active moiety).

Names & identifiers

Preferred 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
English name
Diquafosol Tetrasodium
Molecular formula
C18H27N4NaO23P4
Molecular weight
814.3

Names & synonyms

Diquafosol tetrasodiumIns 365Diquafosol sodiumDiquafosol tetrasodium saltINS365X8T9SBH9LLKPY-998DE-089Diquafosol tetrasodium [USAN]Diquafosol sodium (JAN)UNII-X8T9SBH9LLDiquafosol tetrasodium (USAN)
Show more names
D03864CID 9876095DiquafosoftetrasodiumDexamethoxol tetrasodiumDiquafosol Tetrasodium CRS
DIQUAFOSOL SODIUM [JAN]Uridine(5')tetraphospho(5')uridine tetrasodium saltDIQUAFOSOL TETRASODIUM [MART.]DIQUAFOSOL TETRASODIUM [WHO-DD]DIQUAFOSOL TETRASODIUM SALT [MI]P1,P4-Diuridine 5'-tetraphosphate tetrasodium saltDIQUAFOSOL TETRASODIUM (MART.)Uridine 5'-(pentahydrogen tetraphosphate), P'''-5'ester with uridine, tetrasodium salt

Database identifiers

CAS
211427-08-6
PubChem CID
148196
ChEMBL
CHEMBL1767408
UNII
X8T9SBH9LL

Properties

Computed structural properties

Topological polar surface area
405 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
23
Rotatable bonds
14
Heavy atoms
53

Physicochemical properties

storage temp.
-20 °C · Store at -20°C
solubility
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)
form
A solid
color
White to off-white
optical activity
-12 to · [α]/D -12.0 to -8.0°, c =1.0 in H2O
Water Solubility
2 O: · H2O: 2mg/mL, clear

Safety & regulation

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07,GHS02
Storage Class
11 - Combustible Solids
Hazard statements
H315-H319-H228
Precautionary statements
P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 2 items

DescriptionDiquafosol (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.

UsesEnhancement of mucosal hydration in the treatment of chronic dry eye (P2Y2 receptor antagonist).

Suppliers100 total

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
福建华耀医药科技有限公司18559985626 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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