Diquafosol tetrasodium

CAT: 0013-GTR19167621-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19167621-01Size:2 mg

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Description

Diquafosol Tetrasodium (INS365) is a selective P2Y2 receptor agonist used in ophthalmic research. It promotes mucin and fluid secretion from ocular surface cells, enhancing tear film stability in models of dry eye disease. This mechanism supports its investigation in both in vitro cellular assays and in vivo animal studies.

CAS Number

211427-08-6

Product Name Alternative

Diquafosol, Diquafosol tetrasodium, inhibit, Inhibitor, INS 365, INS365, INS-365, P2Y, P2YReceptor, P2Y Receptor, P2Y2 receptor

Field of Research

Neuroscience, Pharmacology & Drug Discovery

Purity

98.25% (May vary between batches)

Solubility

DMSO:Insoluble; H2O:247.5 mg/mL (281.82 mM)

Smiles

O=c1ccn (C2OC (COP (=O) ([O-]) OP (=O) ([O-]) OP (=O) ([O-]) OP (=O) ([O-]) OCC3OC (n4ccc (=O) [nH]c4=O) C (O) C3O) C (O) C2O) c (=O) [nH]1.[Na+].[Na+].[Na+].[Na+]

Molecular Formula

C18H22N4Na4O23P4

Molecular Weight

878.23

Storage Conditions

-20°C

Notes

For research use only.

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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Alternative Products

Catalog	Name
AR-D01984-01	Diquafosol Tetrasodium
OR1022850-01	Diquafosol (Tetrasodium)
AR-D07268-01	Diquafosol-13C10 Tetrasodium Salt
AR-D01979-01	Diquafosol
RM-D170601-01	Diquafosol Impurity A
RM-D170600-01	Diquafosol Sodium
010844	Diquafosol, Sodium Salt
RM-D170673-01	Diquafosol Impurity 47
RM-D170647-01	Diquafosol Impurity 21
RM-D170635-01	Diquafosol Impurity 9

Diquafosol tetrasodium

Chemical Information

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