4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide (BioDeep_00000177349)
human metabolite blood metabolite
代谢物信息卡片
4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide
化学式: C28H39N3O2 (449.3042114)
中文名称:
谱图信息:
最多检出来源 Homo sapiens(blood) 98.15%
分子结构信息
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C
InChI: InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3
描述信息
同义名列表
6 个代谢物同义名
4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; 4-{[2,5-dimethyl-4-(prop-2-en-1-yl)piperazin-1-yl](3-methoxyphenyl)methyl}-N,N-diethylbenzamide; 4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide; 4-(alpha-(4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide; SNC 80; SNC-80
相关代谢途径
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代谢反应
0 个相关的代谢反应过程信息。
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BioCyc(0)
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Plant Reactome(0)
INOH(0)
PlantCyc(0)
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PharmGKB(0)
1 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。
文献列表
- Beverly A S Reyes, J L Kravets, K L Connelly, E M Unterwald, E J Van Bockstaele. Localization of the delta opioid receptor and corticotropin-releasing factor in the amygdalar complex: role in anxiety.
Brain structure & function.
2017 03; 222(2):1007-1026. doi:
10.1007/s00429-016-1261-6. [PMID: 27376372] - Yi Shang, Holly R Yeatman, Davide Provasi, Andrew Alt, Arthur Christopoulos, Meritxell Canals, Marta Filizola. Proposed Mode of Binding and Action of Positive Allosteric Modulators at Opioid Receptors.
ACS chemical biology.
2016 05; 11(5):1220-9. doi:
10.1021/acschembio.5b00712. [PMID: 26841170] - Richard M van Rijn, Jessica H Harvey, Daniela I Brissett, Julia N DeFriel, Jennifer L Whistler. Novel screening assay for the selective detection of G-protein-coupled receptor heteromer signaling.
The Journal of pharmacology and experimental therapeutics.
2013 Jan; 344(1):179-88. doi:
10.1124/jpet.112.198655. [PMID: 23097213] - Qin Wang, Lee-Yuan Liu-Chen, John R Traynor. Differential modulation of mu- and delta-opioid receptor agonists by endogenous RGS4 protein in SH-SY5Y cells.
The Journal of biological chemistry.
2009 Jul; 284(27):18357-67. doi:
10.1074/jbc.m109.015453. [PMID: 19416973] - Craig Bolte, Gilbert Newman, Jo El J Schultz. Hypertensive state, independent of hypertrophy, exhibits an attenuated decrease in systolic function on cardiac kappa-opioid receptor stimulation.
American journal of physiology. Heart and circulatory physiology.
2009 Apr; 296(4):H967-75. doi:
10.1152/ajpheart.00909.2008. [PMID: 19181965] - John E Pascoe, Keith L Williams, Partha Mukhopadhyay, Kenner C Rice, James H Woods, Mei-Chuan Ko. Effects of mu, kappa, and delta opioid receptor agonists on the function of hypothalamic-pituitary-adrenal axis in monkeys.
Psychoneuroendocrinology.
2008 May; 33(4):478-86. doi:
10.1016/j.psyneuen.2008.01.006. [PMID: 18325678] - D Projean, E Lessard, M P Ducharme, J Ducharme. Use of Freund's Complete Adjuvant (FCA) in inflammatory pain models: consequences on the metabolism and pharmacokinetics of the non-peptidic delta receptor agonist SNC80 in the rat.
Xenobiotica; the fate of foreign compounds in biological systems.
2007 Aug; 37(8):870-83. doi:
10.1080/00498250701474066. [PMID: 17701834] - Laelie A Snook, Graeme Milligan, Brigitte L Kieffer, Dominique Massotte. Mu-delta opioid receptor functional interaction: Insight using receptor-G protein fusions.
The Journal of pharmacology and experimental therapeutics.
2006 Aug; 318(2):683-90. doi:
10.1124/jpet.106.101220. [PMID: 16690720] - Akiyoshi Saitoh, Yuji Yoshikawa, Kenji Onodera, Junzo Kamei. Role of delta-opioid receptor subtypes in anxiety-related behaviors in the elevated plus-maze in rats.
Psychopharmacology.
2005 Nov; 182(3):327-34. doi:
10.1007/s00213-005-0112-6. [PMID: 16075288] - Asunción Romero, Eulalia Planas, Raquel Poveda, Silvia Sánchez, Olga Pol, Margarita M Puig. Anti-exudative effects of opioid receptor agonists in a rat model of carrageenan-induced acute inflammation of the paw.
European journal of pharmacology.
2005 Mar; 511(2-3):207-17. doi:
10.1016/j.ejphar.2005.02.004. [PMID: 15792790] - A Alt, M J Clark, J H Woods, J R Traynor. Mu and Delta opioid receptors activate the same G proteins in human neuroblastoma SH-SY5Y cells.
British journal of pharmacology.
2002 Jan; 135(1):217-25. doi:
10.1038/sj.bjp.0704430. [PMID: 11786497] - G Bonner, F Meng, H Akil. Selectivity of mu-opioid receptor determined by interfacial residues near third extracellular loop.
European journal of pharmacology.
2000 Sep; 403(1-2):37-44. doi:
10.1016/s0014-2999(00)00578-1. [PMID: 10969141] - M S Furness, X Zhang, A Coop, A E Jacobson, R B Rothman, C M Dersch, H Xu, F Porreca, K C Rice. Probes for narcotic receptor-mediated phenomena. 27. Synthesis and pharmacological evaluation of selective delta-opioid receptor agonists from 4-[(alphaR)-alpha-(2S,5R)-4-substituted-2, 5-dimethyl-1-piperazinyl-3-methoxybenzyl]-N,N-diethylbenzamides and their enantiomers.
Journal of medicinal chemistry.
2000 Aug; 43(16):3193-6. doi:
10.1021/jm0001222. [PMID: 10956228] - A R Dehpour, H Rastegar, M Jorjani, F Roushanzamir, K Joharchi, A Ahmadiani. Subsensitivity to opioids is receptor-specific in isolated guinea pig ileum and mouse vas deferens after obstructive cholestasis.
The Journal of pharmacology and experimental therapeutics.
2000 Jun; 293(3):946-51. doi:
NULL. [PMID: 10869396] - L A Pohorecky, A Skiandos, X Zhang, K C Rice, D Benjamin. Effect of chronic social stress on delta-opioid receptor function in the rat.
The Journal of pharmacology and experimental therapeutics.
1999 Jul; 290(1):196-206. doi:
NULL. [PMID: 10381776] - J Cottney, Z Rankovic, J R Morphy. Synthesis of novel analogues of the delta opioid ligand SNC-80 using REM resin.
Bioorganic & medicinal chemistry letters.
1999 May; 9(9):1323-8. doi:
10.1016/s0960-894x(99)00173-0. [PMID: 10340622] - A Coop, A E Jacobson. The LMC delta opioid recognition pharmacophore: comparison of SNC80 and oxymorphindole.
Bioorganic & medicinal chemistry letters.
1999 Feb; 9(3):357-62. doi:
10.1016/s0960-894x(98)00745-8. [PMID: 10091684] - S F Sezen, V A Kenigs, D R Kapusta. Renal excretory responses produced by the delta opioid agonist, BW373U86, in conscious rats.
The Journal of pharmacology and experimental therapeutics.
1998 Oct; 287(1):238-45. doi:
NULL. [PMID: 9765343] - S N Calderon, K C Rice, R B Rothman, F Porreca, J L Flippen-Anderson, H Kayakiri, H Xu, K Becketts, L E Smith, E J Bilsky, P Davis, R Horvath. Probes for narcotic receptor mediated phenomena. 23. Synthesis, opioid receptor binding, and bioassay of the highly selective delta agonist (+)-4-[(alpha R)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]- N,N-diethylbenzamide (SNC 80) and related novel nonpeptide delta opioid receptor ligands.
Journal of medicinal chemistry.
1997 Feb; 40(5):695-704. doi:
10.1021/jm960319n. [PMID: 9057856] - S N Calderon, R B Rothman, F Porreca, J L Flippen-Anderson, R W McNutt, H Xu, L E Smith, E J Bilsky, P Davis, K C Rice. Probes for narcotic receptor mediated phenomena. 19. Synthesis of (+)-4-[(alpha R)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3- methoxybenzyl]-N,N-diethylbenzamide (SNC 80): a highly selective, nonpeptide delta opioid receptor agonist.
Journal of medicinal chemistry.
1994 Jul; 37(14):2125-8. doi:
10.1021/jm00040a002. [PMID: 8035418]