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经验公式(希尔记法):
C28H30N4O · 2HCl
化学文摘社编号:
分子量:
511.49
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77
SMILES string
Cl.Cl.N4(CCc5c(ccc(c5)C#N)C4)CC[C@@H]1CC[C@H](CC1)NC(=O)c2c3c(ncc2)cccc3
InChI
1S/C28H30N4O.2ClH/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27;;/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33);2*1H/t20-,24-;;
InChI key
HEZIOTGUXSPDAK-ONAIBGCWSA-N
assay
≥98% (HPLC)
form
solid
manufacturer/tradename
Calbiochem®
storage condition
OK to freeze, desiccated (hygroscopic), protect from light
color
white
solubility
water: 100 mM
Quality Level
General description
A brain-penetrant, high-affinity, and selective dopamine D3 receptor antagonist. High affinity for the hD3 receptor (pKi = 7.95) with 100-fold selectivity over the hD2 receptor and over 66 other receptors, enzymes, and ion channels. Rat data shows that the compound is selective for the D3 receptor over certain serotonergic and cholinergic receptors at doses up to 56.0 mg/kg and strong physiological response at 32.0 mg/kg.
Biochem/physiol Actions
Primary Target
D3
D3
Preparation Note
Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.
Other Notes
Collins, G. T. et al. 2005. J. Pharmacol. Exp. Ther.314, 310.
Reavill, C. et al. 2000. J. Pharmacol. Exp. Ther.294, 1154.
Reavill, C. et al. 2000. J. Pharmacol. Exp. Ther.294, 1154.
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
Disclaimer
Toxicity: Standard Handling (A)
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
法规信息
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