MRS-1706

MRS-1706
Names
	IUPAC name N-(4-Acetylphenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]acetamide
	Other names MRS 1706
Identifiers
CAS Number	264622-53-9 ;
3D model (JSmol)	Interactive image;
ChemSpider	4313008 ;
IUPHAR/BPS	3287;
MeSH	C496145
PubChem CID	5139184;
UNII	YEE5LME5K5 ;
CompTox Dashboard (EPA)	DTXSID40408687 ;
	InChI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) Key: ZKUCFFYOQOJLGT-UHFFFAOYSA-N ; InChI=1/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) Key: ZKUCFFYOQOJLGT-UHFFFAOYAX;
	SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C;
Properties
Chemical formula	C27H29N5O5
Molar mass	503.56
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

MRS-1706 is a selective inverse agonist for the adenosine A_2B receptor.^[1] It inhibits release of interleukins and has an antiinflammatory effect.^[2]^[3]

References

^ Li Q, Ye K, Blad CC, den Dulk H, Brouwer J, Ijzerman AP, Beukers MW (February 2007). "ZM241385, DPCPX, MRS1706 are inverse agonists with different relative intrinsic efficacies on constitutively active mutants of the human adenosine A2B receptor". The Journal of Pharmacology and Experimental Therapeutics. 320 (2): 637–45. doi:10.1124/jpet.106.111203. PMID 17077318.
^ Vazquez JF, Clement HW, Sommer O, Schulz E, van Calker D (May 2008). "Local stimulation of the adenosine A2B receptors induces an increased release of IL-6 in mouse striatum: an in vivo microdialysis study". Journal of Neurochemistry. 105 (3): 904–9. doi:10.1111/j.1471-4159.2007.05191.x. PMID 18088370.
^ Ryzhov S, Zaynagetdinov R, Goldstein AE, Novitskiy SV, Dikov MM, Blackburn MR, et al. (June 2008). "Effect of A2B adenosine receptor gene ablation on proinflammatory adenosine signaling in mast cells". Journal of Immunology. 180 (11): 7212–20. doi:10.4049/jimmunol.180.11.7212. PMC 3628765. PMID 18490720.

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Names

IUPAC name N-(4-Acetylphenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]acetamide
Other names MRS 1706
Identifiers
CAS Number	264622-53-9^Y
3D model (JSmol)	Interactive image
ChemSpider	4313008^N
IUPHAR/BPS	3287
MeSH	C496145
PubChem CID	5139184
UNII	YEE5LME5K5^Y
CompTox Dashboard (EPA)	DTXSID40408687
InChI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)^N Key: ZKUCFFYOQOJLGT-UHFFFAOYSA-N^N InChI=1/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) Key: ZKUCFFYOQOJLGT-UHFFFAOYAX
SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C
Properties
Chemical formula	C₂₇H₂₉N₅O₅
Molar mass	503.56
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references