| Identification | |
| Name: | SKF 89976A |
| Synonyms: | 3-Piperidinecarboxylic acid,1-(4,4-diphenyl-3-butenyl)-,hydrochloride; |
| CAS: | 85375-15-1 |
| Molecular Formula: | C22H26ClNO2 |
| Molecular Weight: | 371.9 |
| InChI: | InChI=1/C22H25NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25);1H |
| Molecular Structure: |  |
| Properties | |
| Density: | g/cm3 |
| Specification: |
The SKF 89976A, with the cas registry number 85375-15-1, has the systematic name of 1-(4,4-diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride. This is a kind of white solid and its product categories are including GABA/Glycine receptor; GABA. The physical properties of this chemical are as follows: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 14.57; (6)ACD/BCF (pH 7.4): 14.59; (7)ACD/KOC (pH 5.5): 46.04; (8)ACD/KOC (pH 7.4): 46.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54; (13)Flash Point: 275.2 °C; (14)Enthalpy of Vaporization: 84.93 kJ/mol; (15)Boiling Point: 531.4 °C at 760 mmHg; (16)Vapour Pressure: 4.04E-12 mmHg at 25°C. In addition, you could convert the following datas into the molecular structure: |
| Biological Activity: | A potent GABA uptake inhibitor, selective for GAT-1 (IC 50 values are 0.13, 550, 944 and 7210 μ M for hGAT-1, rGAT-2, hGAT-3 and hBGT-1 respectively). Inhibits transport current competitively (K i = 7 μ M) and transmitter-gated current non-competitively (K i = 0.03 nM). Able to pass the blood-brain barrier after systemic administration and is active in vivo . |
| Storage Temperature: | 2-8°C |
| Color: | white |
| Safety Data | |
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