1199943-44-6

UR-144, with the cas number 1199943-44-6, is a drug invented by Abbott Laboratories, that acts as a selective full agonist of the peripheral cannabinoid receptor CB2, but with much lower affinity for the psychoactive CB1 receptor. Chemically it is closely related to other 2,2,3,3-tetramethylcyclopropyl synthetic cannabinoids like A-796,260 and A-834,735 but with a different substitution on the 1-position of the indole core, in these compounds its 1-pentyl group is replaced with alkylheterocycles like 1-(2-morpholinoethyl) and 1-(tetrahydropyran-4-ylmethyl).

Physical properties about UR-144 are: (1)ACD/LogP: 6.125; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.13; (5)ACD/BCF (pH 5.5): 26588.51; (6)ACD/BCF (pH 7.4): 26588.51; (7)ACD/KOC (pH 5.5): 51142.42; (8)ACD/KOC (pH 7.4): 51142.42; (9)#H bond acceptors: 2 ; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 96.628 cm³; (13)Molar Volume: 299.538 cm³; (14)Polarizability: 38.306 10-24cm³; (15)Surface Tension: 35.8089981079102 dyne/cm; (16)Density:1.04 g/cm³; (17)Flash Point: 211.804 °C; (18)Enthalpy of Vaporization: 68.144 kJ/mol; (19)Boiling Point: 426.606 °C at 760 mmHg;

Uses of UR-144:  It has unique properties in that it binds with a high selectivity for the peripheral CB2 receptor which would make it a great candidate for in vitro profiling of its efficacy with this receptor. Synthetic membranes with infused CB2 receptors could be used to study the affinity and even competitive ligand binding with other CB2 agonists. So far, studies have shown a Ki of 1.8nM for the CB2 with an affinity for the CB1 being 150nM. Some studies utilise the vapour from UR-144 heat combustion to allow for a thin evenly distributed aerosol to be applied to mediums. UR-144 is licenced for in vitro research only unless a home office licence is obtained stating otherwise. Certain laboratories specialise in compiling chemical analysis libraries of novel chemicals. UR-144 maybe analysed using FTIR, NMR, HPLC or GC/MS techniques and added to these libraries. It may also find a use as a primary reagent for any chemistry research programme.

You can still convert the following datas into molecular structure:
(1)SMILES:CCCCCn1cc(c2c1cccc2)C(=O)C3C(C3(C)C)(C)C;
(2)Std. InChI:InChI=1S/C21H29NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h8-9,11-12,14,19H,6-7,10,13H2,1-5H3;
(3)Std. InChIKey:NBMMIBNZVQFQEO-UHFFFAOYSA-N