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MedKoo Cat#: 532290 | Name: MRS 2500 tetraammonium salt

Description:

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

MRS 2500 tetraammonium salt is a highly potent and selective antagonist of the platelet P2Y1 receptor (Ki = 0.78 nM). MRS 2500 tetraammonium salt inhibits ADP-induced aggregation of human platelets with an IC50 value of 0.95 nM. MRS 2500 tetraammonium salt inhibits the upregulation of NTPDase1 by ATPγS.

Chemical Structure

MRS 2500 tetraammonium salt
MRS 2500 tetraammonium salt
CAS#630103-23-0 (ammonium)

Theoretical Analysis

MedKoo Cat#: 532290

Name: MRS 2500 tetraammonium salt

CAS#: 630103-23-0 (ammonium)

Chemical Formula: C13H30IN9O8P2

Exact Mass:

Molecular Weight: 629.29

Elemental Analysis: C, 24.81; H, 4.81; I, 20.17; N, 20.03; O, 20.34; P, 9.84

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.
Bulk Inquiry
Related CAS #
779323-43-2 (free base) 630103-23-0 (ammonium)
Synonym
MRS 2500 tetraammonium salt; MRS 2500; MRS-2500; MRS2500.
IUPAC/Chemical Name
(1R,2S,4S,5S)-4-(2-iodo-6-(methylamino)-9H-purin-9-yl)-1-((phosphonooxy)methyl)bicyclo[3.1.0]hexan-2-yl dihydrogen phosphate, tetraammonia salt
InChi Key
FVTFHHDVLNQSME-AVAGOIHISA-N
InChi Code
InChI=1S/C13H18IN5O8P2.4H3N/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22;;;;/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25);4*1H3/t6-,7+,8+,13+;;;;/m1..../s1
SMILES Code
CNC1=C(N=CN2[C@@]3([H])C[C@@](OP(O)(O)=O)([H])[C@]4(COP(O)(O)=O)C[C@]34[H])C2=NC(I)=N1.N.N.N.N
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
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 629.29 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: Kwon SG, Roh DH, Yoon SY, Choi SR, Choi HS, Moon JY, Kang SY, Beitz AJ, Lee JH. Involvement of peripheral P2Y1 receptors and potential interaction with IL-1 receptors in IL-1β-induced thermal hypersensitivity in rats. Brain Res Bull. 2017 Jan 30;130:165-172. doi: 10.1016/j.brainresbull.2017.01.019. [Epub ahead of print] PubMed PMID: 28153540. 2: Yi F, Sun L, Xu LJ, Peng Y, Liu HB, He CN, Xiao PG. In silico Approach for Anti-Thrombosis Drug Discovery: P2Y(1)R Structure-Based TCMs Screening. Front Pharmacol. 2017 Jan 9;7:531. doi: 10.3389/fphar.2016.00531. eCollection 2017 Jan 9. PubMed PMID: 28119608; PubMed Central PMCID: PMC5220089. 3: Min YW, Hong YS, Ko EJ, Lee JY, Ahn KD, Bae JM, Rhee PL. Nitrergic Pathway Is the Main Contributing Mechanism in the Human Gastric Fundus Relaxation: An In Vitro Study. PLoS One. 2016 Sep 2;11(9):e0162146. doi: 10.1371/journal.pone.0162146. eCollection 2016 Sep 2. PubMed PMID: 27589594; PubMed Central PMCID: PMC5010257.

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