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MedKoo Cat#: 319917 | Name: Regrelor disodium

Description:

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

Regrelor, also known as INS50589, is a novel P2Y(12) ADP-receptor antagonist. P2Y(12) receptors participate in ADP-induced activation and aggregation of human platelets.

Chemical Structure

Regrelor disodium
Regrelor disodium
CAS#676251-22-2 (disodium)

Theoretical Analysis

MedKoo Cat#: 319917

Name: Regrelor disodium

CAS#: 676251-22-2 (disodium)

Chemical Formula: C22H23N6Na2O8P

Exact Mass:

Molecular Weight: 576.41

Elemental Analysis: C, 45.84; H, 4.02; N, 14.58; Na, 7.98; O, 22.20; P, 5.37

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 #
787548-03-2 (free acid) 676251-22-2 (disodium)
Synonym
INS50589; INS-50589; INS 50589; Regrelor; Regrelor sodium; Regrelor disodium.
IUPAC/Chemical Name
sodium ((2S,3aR,4R,6R,6aR)-6-(6-(3-ethylureido)-9H-purin-9-yl)-2-((E)-styryl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl phosphate
InChi Key
MKQKPLQMNCXTJE-VEZQGTPESA-L
InChi Code
InChI=1S/C22H25N6O8P.2Na/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13;;/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29);;/q;2*+1/p-2/b9-8+;;/t14-,15+,17-,18-,21-;;/m1../s1
SMILES Code
O=P([O-])(OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N=CN=C32)NC(NCC)=O)O1)O4)O[C@@H]4/C=C/C5=CC=CC=C5)[O-].[Na+].[Na+]
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
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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

Preparing Stock Solutions

The following data is based on the product molecular weight 576.41 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.

Recalculate based on batch purity %
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: Moliterno DJ. Advances in antiplatelet therapy for ACS and PCI. J Interv Cardiol. 2008 Dec;21 Suppl 1:S18-24. doi: 10.1111/j.1540-8183.2008.00409.x. Review. PubMed PMID: 19090933. 2: Johnson FL, Boyer JL, Leese PT, Crean C, Krishnamoorthy R, Durham T, Fox AW, Kellerman DJ. Rapid and reversible modulation of platelet function in man by a novel P2Y(12) ADP-receptor antagonist, INS50589. Platelets. 2007 Aug;18(5):346-56. PubMed PMID: 17654304.