MedKoo Cat#: 555748 | Name: MRS7591

Description:

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

MRS7591 is a Partial Agonists at Mouse and Human A3 Adenosine Receptors with Ki = 10.9/17.8 nM, at human/mouse A3AR. MRS7591 was a partial agonist in vitro (hA3AR, cAMP inhibition, 31% Emax; mA3AR, [35S]GTP-γ-S binding, 16% Emax) and in vivo and also antagonized hA3AR in vitro. Highly potent and selective MRS7591 displayed A3AR antagonist as well as partial agonist properties in cells (both h and m) and maintained in vivo agonism in the mouse over a >2 h period and can be considered a useful tool compound for in vivo use.

Chemical Structure

MRS7591
MRS7591
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 555748

Name: MRS7591

CAS#: Unknown

Chemical Formula: C28H27N5O4

Exact Mass: 497.2063

Molecular Weight: 497.56

Elemental Analysis: C, 67.59; H, 5.47; N, 14.08; O, 12.86

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
MRS7591; MRS-7591; MRS 7591;
IUPAC/Chemical Name
(1R,2R,3S,4R,5S)-4-(6-((4-Hydroxy-3-methoxyphenethyl)-amino)-2-(phenylethynyl)-9H-purin-9-yl)bicyclo[3.1.0]-hexane-2,3-diol
InChi Key
InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1
InChi Code
InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1
SMILES Code
O[C@@H]1[C@]2([H])C[C@]2([H])[C@@H](N3C=NC4=C(NCCC5=CC=C(O)C(OC)=C5)N=C(C#CC6=CC=CC=C6)N=C34)[C@@H]1O
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
>3 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 497.56 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
Truncated (N)-Methanocarba Nucleosides as Partial Agonists at Mouse and Human A3 Adenosine Receptors: Affinity Enhancement by N6-(2-Phenylethyl) Substitution Dilip K. ToshVeronica SalmasoHarsha RaoAmelia BitantCourtney L. FisherDavid I. LiebermanHelmut VorbrüggenMarc L. ReitmanOksana GavrilovaZhan-Guo GaoJohn A. AuchampachKenneth A. Jacobson*