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MedKoo Cat#: 130120 | Name: MRS5841

Description:

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

MRS5841 is a A3AR agonist (Ki(hA3AR) = 1.9 nM). MRS5841 has been used as a tool for studying chronic neuropathic pain, the role of adenosine in the CNS and the peripheral nervous system, and the role of A3AR agonists in inducing hypothermia.

Chemical Structure

MRS5841
MRS5841
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130120

Name: MRS5841

CAS#: N/A

Chemical Formula: C28H25ClN6O6S

Exact Mass: 608.1245

Molecular Weight: 609.05

Elemental Analysis: C, 55.22; H, 4.14; Cl, 5.82; N, 13.80; O, 15.76; S, 5.26

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 #
No Data
Synonym
MRS5841
IUPAC/Chemical Name
3-((6-(3-Chlorobenzylamino)-9-((1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hexan-2-yl)-9H-purin-2-yl)ethynyl)benzenesulfonic acid
InChi Key
ZJYALGSOGMHDQC-WANRRHMFSA-N
InChi Code
InChI=1S/C28H25ClN6O6S/c1-30-27(38)28-12-19(28)22(23(36)24(28)37)35-14-32-21-25(31-13-16-5-2-6-17(29)10-16)33-20(34-26(21)35)9-8-15-4-3-7-18(11-15)42(39,40)41/h2-7,10-11,14,19,22-24,36-37H,12-13H2,1H3,(H,30,38)(H,31,33,34)(H,39,40,41)/t19-,22-,23+,24+,28+/m1/s1
SMILES Code
O=S(C1=CC=CC(C#CC2=NC(NCC3=CC=CC(Cl)=C3)=C4N=CN([C@@H]5[C@@]6([H])C[C@@]6(C(NC)=O)[C@@H](O)[C@H]5O)C4=N2)=C1)(O)=O
Appearance
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 609.05 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. Paoletta S, Tosh DK, Finley A, Gizewski ET, Moss SM, Gao ZG, Auchampach JA, Salvemini D, Jacobson KA. Rational design of sulfonated A3 adenosine receptor-selective nucleosides as pharmacological tools to study chronic neuropathic pain. J Med Chem. 2013 Jul 25;56(14):5949-63. doi: 10.1021/jm4007966. Epub 2013 Jul 3. PMID: 23789857; PMCID: PMC3858399. 2. Carlin JL, Tosh DK, Xiao C, Piñol RA, Chen Z, Salvemini D, Gavrilova O, Jacobson KA, Reitman ML. Peripheral Adenosine A3 Receptor Activation Causes Regulated Hypothermia in Mice That Is Dependent on Central Histamine H1 Receptors. J Pharmacol Exp Ther. 2016 Feb;356(2):474-82. doi: 10.1124/jpet.115.229872. Epub 2015 Nov 25. PMID: 26606937; PMCID: PMC4746492.

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