Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H22N4O23P4.4Na |
Molecular Weight | 878.2344 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O
InChI
InChIKey=OWTGMPPCCUSXIP-FNXFGIETSA-J
InChI=1S/C18H26N4O23P4.4Na/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30;;;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,15-,16-;;;;/m1..../s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H22N4O23P4 |
Molecular Weight | 786.2753 |
Charge | -4 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/18600475Curator's Comment: Description was created based on several sources, including http://www.santeninc.com/newsroom/press-releases/10_04_DIQUAS.pdf | http://www.santen.com/en/therapeutic-areas/asia/dryeye/diquas/
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18600475
Curator's Comment: Description was created based on several sources, including http://www.santeninc.com/newsroom/press-releases/10_04_DIQUAS.pdf | http://www.santen.com/en/therapeutic-areas/asia/dryeye/diquas/
Diquafosol, a dinucleotide Up4U, is an agonist for purinergic P2Y2 receptor. Diquafosol stimulated water and mucin secretion by acting on P2Y2 receptors on the conjunctival epithelial and goblet cell membrane and elevating intracellular calcium ion concentrations. The Japanese Ministry of Health, Labour and Welfare granted approval for DIQUAS Ophthalmic Solution 3% (diquafosol tetrasodium) for the treatment of dry eye.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4398 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18600475 |
0.1 µM [EC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | DIQUAS Approved UseDIQUAS Ophthalmic Solution 3% (generic name: diquafosol tetrasodium) should be used in patients diagnosed with dry eye, associated with keratoconjunctival epithelium disorders that accompany lacrimal fluid abnormality. Launch Date2010 |
PubMed
Title | Date | PubMed |
---|---|---|
Safety of aerosolized INS 365 in patients with mild to moderate cystic fibrosis: results of a phase I multi-center study. | 2001 Aug |
|
Inhaled P2Y2 receptor agonists as a treatment for patients with Cystic Fibrosis lung disease. | 2002 Dec 5 |
|
Diquafosol: DE 089, diquafosol tetrasodium, INS 365, INS 365 Ophthalmic, INS 365 Respiratory, KPY 998. | 2003 |
|
Therapy for chronic obstructive pulmonary disease in the 21st century. | 2003 |
|
Molecule of the month. Diquafosol tetrasodium. | 2003 Oct |
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Diquafosol tetrasodium: a novel dry eye therapy. | 2004 Jan |
|
P2 receptors activated by uracil nucleotides--an update. | 2006 |
|
Pyrimidine nucleotides with 4-alkyloxyimino and terminal tetraphosphate δ-ester modifications as selective agonists of the P2Y(4) receptor. | 2011 Jun 23 |
Sample Use Guides
DIQUAS Ophthalmic Solution 3% (generic name: diquafosol tetrasodium). Usually, instill 1 drop a time 6 times daily.
Route of Administration:
Topical
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28280412/
3% diquafosol tetrasodium had a significant, time-dependent, inhibitory effect on human corneal epithelial cells (HCEC) proliferation and cytotoxicity. HCECs treated with diquafosol detached more from the bottoms of dishes and damaged cells showed degenerative changes, such as, reduced numbers of microvilli, vacuole formation, and chromatin of the nuclear remnant condensed along the nuclear periphery.
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:21:22 GMT 2023
by
admin
on
Fri Dec 15 16:21:22 GMT 2023
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Record UNII |
X8T9SBH9LL
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C78283
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FDA ORPHAN DRUG |
116998
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m4661
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OO-03
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211427-08-6
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SUB32869
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148196
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X8T9SBH9LL
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C65437
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100000126190
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CHEMBL221326
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266356-23-4
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SUPERSEDED |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |