O-1057

O-1057
Identifiers
	IUPAC name 3-(5'-cyano-1',1'-dimethylpentyl)-1-(4-N-morpholinobutyryloxy)-Δ8-tetrahydrocannabinol;
PubChem CID	9829239;
ChemSpider	8004975;
CompTox Dashboard ( EPA)	DTXSID401019171 ;
Chemical and physical data
Formula	C32H46N2O4
Molar mass	522.730 g·mol−1
3D model ( JSmol)	Interactive image;
	SMILES N#CCCCCC(c3cc1OC([C@@H]4C/C=C(\CC4c1c(OC(=O)CCCN2CCOCC2)c3)C)(C)C)(C)C;
	InChI InChI=1S/C32H46N2O4/c1-23-11-12-26-25(20-23)30-27(37-29(35)10-9-15-34-16-18-36-19-17-34)21-24(22-28(30)38-32(26,4)5)31(2,3)13-7-6-8-14-33/h11,21-22,25-26H,6-10,12-13,15-20H2,1-5H3/t25-,26-/m1/s1; Key:YRDNBEPFVBMTNP-CLJLJLNGSA-N;
	(verify)

O-1057 is an analgesic cannabinoid derivative created by Organix Inc., Newburyport, Massachusetts, for use in scientific research. Unlike most cannabinoids discovered to date, it is water-soluble, which gives it considerable advantages over many related cannabinoids. It has moderate affinity for both CB₁ and CB₂ receptors, with K_i values of 8.36 nM at CB₁ and 7.95 nM at CB₂^[1]

References

^ Pertwee RG, Gibson TM, Stevenson LA, Ross RA, Banner WK, Saha B, Razdan RK, Martin BR (April 2000). "O-1057, a potent water-soluble cannabinoid receptor agonist with antinociceptive properties". British Journal of Pharmacology. 129 (8): 1577–84. doi: 10.1038/sj.bjp.0703245. PMC 1572002. PMID 10780961.

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[pmid10780961-1] Pertwee RG, Gibson TM, Stevenson LA, Ross RA, Banner WK, Saha B, Razdan RK, Martin BR (April 2000). "O-1057, a potent water-soluble cannabinoid receptor agonist with antinociceptive properties". British Journal of Pharmacology. 129 (8): 1577–84. doi: 10.1038/sj.bjp.0703245. PMC 1572002. PMID 10780961.

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Identifiers

IUPAC name 3-(5'-cyano-1',1'-dimethylpentyl)-1-(4-N-morpholinobutyryloxy)-Δ⁸-tetrahydrocannabinol
PubChem CID	9829239
ChemSpider	8004975
CompTox Dashboard ( EPA)	DTXSID401019171
Chemical and physical data
Formula	C₃₂H₄₆N₂O₄
Molar mass	522.730 g·mol⁻¹
3D model ( JSmol)	Interactive image
SMILES N#CCCCCC(c3cc1OC([C@@H]4C/C=C(\CC4c1c(OC(=O)CCCN2CCOCC2)c3)C)(C)C)(C)C
InChI InChI=1S/C32H46N2O4/c1-23-11-12-26-25(20-23)30-27(37-29(35)10-9-15-34-16-18-36-19-17-34)21-24(22-28(30)38-32(26,4)5)31(2,3)13-7-6-8-14-33/h11,21-22,25-26H,6-10,12-13,15-20H2,1-5H3/t25-,26-/m1/s1 Key:YRDNBEPFVBMTNP-CLJLJLNGSA-N
(verify)