Diquafosol Free Base | CAS# 59985-21-6 (free base) | Purinoceptor P2Y(2) receptor agonist

MedKoo Cat#: 413822 | Name: Diquafosol Free Base

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Diquafosol Free Base is a purinoceptor P2Y(2) receptor agonist.

Chemical Structure

Diquafosol Free Base

CAS#59985-21-6 (free base)

Theoretical Analysis

MedKoo Cat#: 413822

Name: Diquafosol Free Base

CAS#: 59985-21-6 (free base)

Chemical Formula: C18H26N4O23P4

Exact Mass: 789.9938

Molecular Weight: 790.31

Elemental Analysis: C, 27.36; H, 3.32; N, 7.09; O, 46.56; P, 15.68

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

59985-21-6 (free base) 211427-08-6 (tetrasodium)

Synonym

Diquafosol Free Base; INS-365; INS365; INS 365; KPY998; KPY-998; KPY 998

IUPAC/Chemical Name

P1,P4-Bis(5'-uridyl) tetrahydrogen tetraphosphate

InChi Key

NMLMACJWHPHKGR-NCOIDOBVSA-N

InChi Code

InChI=1S/C18H26N4O23P4/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)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1

SMILES Code

O[C@H]1[C@H]([C@H](N2C=CC(NC2=O)=O)O[C@@H]1COP(O)(OP(O)(OP(O)(OP(O)(OC[C@H]3O[C@@H](N4C=CC(NC4=O)=O)[C@@H]([C@@H]3O)O)=O)=O)=O)=O)O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 790.31 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Park JH, Moon SH, Kang DH, Um HJ, Kang SS, Kim JY, Tchah H. Diquafosol Sodium Inhibits Apoptosis and Inflammation of Corneal Epithelial Cells Via Activation of Erk1/2 and RSK: In Vitro and In Vivo Dry Eye Model. Invest Ophthalmol Vis Sci. 2018 Oct 1;59(12):5108-5115. doi: 10.1167/iovs.17-22925. PMID: 30372737. 2: Zhao X, Xia S, Chen Y. Comparison of the efficacy between topical diquafosol and artificial tears in the treatment of dry eye following cataract surgery: A meta-analysis of randomized controlled trials. Medicine (Baltimore). 2017 Sep;96(39):e8174. doi: 10.1097/MD.0000000000008174. PMID: 28953672; PMCID: PMC5626315. 3: Keating GM. Diquafosol ophthalmic solution 3 %: a review of its use in dry eye. Drugs. 2015 May;75(8):911-22. doi: 10.1007/s40265-015-0409-7. PMID: 25968930. 4: Park CH, Lee HK, Kim MK, Kim EC, Kim JY, Kim TI, Kim HK, Song JS, Yoon KC, Lee DH, Chung TY, Choi CY, Kim HS. Comparison of 0.05% cyclosporine and 3% diquafosol solution for dry eye patients: a randomized, blinded, multicenter clinical trial. BMC Ophthalmol. 2019 Jun 17;19(1):131. doi: 10.1186/s12886-019-1136-8. Retraction in: BMC Ophthalmol. 2020 Jun 23;20(1):251. PMID: 31208393; PMCID: PMC6580465. 5: Nakamura M, Imanaka T, Sakamoto A. Diquafosol ophthalmic solution for dry eye treatment. Adv Ther. 2012 Jul;29(7):579-89. doi: 10.1007/s12325-012-0033-9. Epub 2012 Jul 27. PMID: 22843206. 6: Dominguez-Godinez C, Carracedo G, Pintor J. Diquafosol Delivery from Silicone Hydrogel Contact Lenses: Improved Effect on Tear Secretion. J Ocul Pharmacol Ther. 2018 Jan/Feb;34(1-2):170-176. doi: 10.1089/jop.2016.0193. Epub 2017 Jul 12. PMID: 28700254. 7: Fukuoka S, Arita R. Tear film lipid layer increase after diquafosol instillation in dry eye patients with meibomian gland dysfunction: a randomized clinical study. Sci Rep. 2019 Jun 24;9(1):9091. doi: 10.1038/s41598-019-45475-7. PMID: 31235821; PMCID: PMC6591396. 8: Jun I, Choi S, Lee GY, Choi YJ, Lee HK, Kim EK, Seo KY, Kim TI. Effects of Preservative-free 3% Diquafosol in Patients with Pre-existing Dry Eye Disease after Cataract Surgery: A Randomized Clinical Trial. Sci Rep. 2019 Sep 2;9(1):12659. doi: 10.1038/s41598-019-49159-0. PMID: 31477748; PMCID: PMC6718409. 9: Koh S. Clinical utility of 3% diquafosol ophthalmic solution in the treatment of dry eyes. Clin Ophthalmol. 2015 May 15;9:865-72. doi: 10.2147/OPTH.S69486. PMID: 26028958; PMCID: PMC4440420. 10: Nagahara Y, Koh S, Oshita Y, Nagano T, Mano H, Nishida K, Watanabe H. Diquafosol Ophthalmic Solution Increases Pre- and Postlens Tear Film During Contact Lens Wear in Rabbit Eyes. Eye Contact Lens. 2017 Nov;43(6):378-382. doi: 10.1097/ICL.0000000000000283. PMID: 27243352.