MRS7292

MRS7292
Identifiers
	IUPAC name methyl (1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate;
CAS Number	2092913-97-6;
PubChem CID	137633601;
ChemSpider	76784456;
ChEMBL	ChEMBL4066973;
Chemical and physical data
Formula	C20H18ClN5O4S
Molar mass	459.91 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CNC1=C2C(=NC(=N1)C#CC3=CC=C(S3)Cl)N(C=N2)[C@@H]4[C@H]5C[C@]5([C@H]([C@H]4O)O)C(=O)OC;
	InChI InChI=1S/C20H18ClN5O4S/c1-22-17-13-18(25-12(24-17)6-4-9-3-5-11(21)31-9)26(8-23-13)14-10-7-20(10,19(29)30-2)16(28)15(14)27/h3,5,8,10,14-16,27-28H,7H2,1-2H3,(H,22,24,25)/t10-,14-,15+,16+,20+/m1/s1; Key:OXHKHNQYCDYUIU-AQPYCOETSA-N;

MRS7292 is an experimental drug which acts as both a selective agonist of the adenosine A3 receptor with moderate affinity, and also a dopamine reuptake inhibitor, showing that these disparate mechanisms of action can both be produced in the same molecule.^[1]^[2]

References

^ Tosh DK, Janowsky A, Eshleman AJ, Warnick E, Gao ZG, Chen Z, et al. (April 2017). "Scaffold Repurposing of Nucleosides (Adenosine Receptor Agonists): Enhanced Activity at the Human Dopamine and Norepinephrine Sodium Symporters". Journal of Medicinal Chemistry. 60 (7): 3109–3123. doi:10.1021/acs.jmedchem.7b00141. PMC 5501184. PMID 28319392.
^ Tosh DK, Salmaso V, Rao H, Campbell R, Bitant A, Gao ZG, et al. (October 2020). "Direct Comparison of (N)-Methanocarba and Ribose-Containing 2-Arylalkynyladenosine Derivatives as A₃ Receptor Agonists". ACS Medicinal Chemistry Letters. 11 (10): 1935–1941. doi:10.1021/acsmedchemlett.9b00637. PMC 7549272. PMID 33062176.

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[1] Tosh DK, Janowsky A, Eshleman AJ, Warnick E, Gao ZG, Chen Z, et al. (April 2017). "Scaffold Repurposing of Nucleosides (Adenosine Receptor Agonists): Enhanced Activity at the Human Dopamine and Norepinephrine Sodium Symporters". Journal of Medicinal Chemistry. 60 (7): 3109–3123. doi:10.1021/acs.jmedchem.7b00141. PMC 5501184. PMID 28319392.

[2] Tosh DK, Salmaso V, Rao H, Campbell R, Bitant A, Gao ZG, et al. (October 2020). "Direct Comparison of (N)-Methanocarba and Ribose-Containing 2-Arylalkynyladenosine Derivatives as A₃ Receptor Agonists". ACS Medicinal Chemistry Letters. 11 (10): 1935–1941. doi:10.1021/acsmedchemlett.9b00637. PMC 7549272. PMID 33062176.

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[2]

See also

References