WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130120
CAS#: N/A
Description: 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.
Hodoodo Cat#: H130120
Name: MRS5841
CAS#: N/A
Chemical Formula: C28H25ClN6O6S
Exact Mass: 608.12
Molecular Weight: 609.050
Elemental Analysis: C, 55.22; H, 4.14; Cl, 5.82; N, 13.80; O, 15.76; S, 5.26
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.