Diquafosol (tetrasodium)

CAT: 0804-HY-B0606-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0606-01Size:5 mg

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Description

Diquafosol tetrasodium is a P2Y2 receptor agonist that stimulates fluid and mucin secretion on the ocular surface, as a topical treatment of dry eye disease.

CAS Number

211427-08-6

Product Name Alternative

INS365

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

P2Y Receptor

Related Pathways

GPCR/G Protein

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Concentration

10mM

Purity

99.0

Solubility

DMSO : 1 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)

Smiles

O[C@H]1[C@@H](O)[C@H](N(C(N2)=O)C=CC2=O)O[C@@H]1COP(OP(OP(OP(OC[C@@H]3[C@@H](O)[C@@H](O)[C@H](N4C(NC(C=C4)=O)=O)O3)(O[Na])=O)(O[Na])=O)(O[Na])=O)(O[Na])=O

Molecular Formula

C18H22N4Na4O23P4

Molecular Weight

878.23

Precautions

H302, H315, H319, H335

References & Citations

[1]Lee JH, et al. Comparison of cytotoxicities and wound healing effects of diquafosol tetrasodium and hyaluronic acid on human corneal epithelial cells. Korean J Physiol Pharmacol. 2017 Mar;21 (2) :189-195.|[2]Fujihara T, et al. Improvement of corneal barrier function by the P2Y (2) agonist INS365 in a rat dry eye model. Invest Ophthalmol Vis Sci. 2001 Jan;42 (1) :96-100.|[3]Fujihara T, et al. INS365 suppresses loss of corneal epithelial integrity by secretion of mucin-like glycoprotein in a rabbit short-term dry eye model. J Ocul Pharmacol Ther. 2002 Aug;18 (4) :363-70.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

P2Y2 Receptor

Chemical Information

Diquafosol Tetrasodium

See also: Diquafosol (has active moiety).

CAS Number	211427-08-6
PubChem CID	148196
IUPAC Name	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
Molecular Formula	C18H22N4Na4O23P4
Molecular Weight	878.2
Topological Polar Surface Area	405
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	14
Heavy Atom Count	53
Formal Charge	0
Complexity	1460

SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]

InChI

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

InChIKey

OWTGMPPCCUSXIP-FNXFGIETSA-J

Chemical Structure

2D Structure

CAS: 211427-08-6

CID: 148196

Formula: C18H22N4Na4O23P4

MW: 878.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	878.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	14
Exact Mass	877.9216081
Monoisotopic Mass	877.9216081
Topological Polar Surface Area	405 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1460
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes

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Diquafosol (tetrasodium)

Chemical Information

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