1-苄基-1,2,3,4-四氢异喹啉

• 常用名: 1-苄基-1,2,3,4-四氢异喹啉
• 英文名: Isoquinoline,1,2,3,4-tetrahydro-1-(phenylmethyl)
• CAS号: 19716-56-4
• 分子量: 223.31300
• 密度: 1.06g/cm3
• 沸点: 358.7ºC at 760mmHg
• 分子式: C₁₆H₁₇N
• 熔点: N/A
• 闪点: 180.1ºC

1-苄基-1,2,3,4-四氢异喹啉用途

1-苄基1,2,3,4-四氢异喹啉是一种存在于脑脊液中的内源性代谢产物,可用于帕金森病的研究[1][2]。

1-苄基-1,2,3,4-四氢异喹啉名称

• 中文名: 1-苄基-1,2,3,4-四氢异喹啉
• 英文名: (RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline

1-苄基-1,2,3,4-四氢异喹啉生物活性

• 描述: 1-苄基1,2,3,4-四氢异喹啉是一种存在于脑脊液中的内源性代谢产物,可用于帕金森病的研究[1][2]。
• 相关类别:
  研究领域 >> 神经疾病
• 体外研究: 内源性代谢产物被定义为《京都基因和基因组百科全书》注释为我们基因组中约1900种代谢酶的底物或产物。在文献正文中很清楚,许多这些代谢产物都具有毒性[1]。
• 参考文献:

  [1]. Lee N, et al. Endogenous toxic metabolites and implications in cancer therapy. Oncogene. 2020 Aug;39(35):5709-5720.

  [2]. Kotake Y, et al. 1-Benzyl-1,2,3,4-tetrahydroisoquinoline as a parkinsonism-inducing agent: a novel endogenous amine in mouse brain and parkinsonian CSF. J Neurochem. 1995 Dec;65(6):2633-8.

1-苄基-1,2,3,4-四氢异喹啉物理化学性质

• 密度: 1.06g/cm3
• 沸点: 358.7ºC at 760mmHg
• 分子式: C₁₆H₁₇N
• 分子量: 223.31300
• 闪点: 180.1ºC
• 精确质量: 223.13600
• PSA: 12.03000
• LogP: 3.44490
• InChIKey: YRYCIFUZSUMAAY-UHFFFAOYSA-N
• SMILES: c1ccc(CC2NCCc3ccccc32)cc1
• 蒸汽压: 2.5E-05mmHg at 25°C
• 折射率: 1.588
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.3

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积:12

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:232

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

1-苄基-1,2,3,4-四氢异喹啉安全信息

• 海关编码: 2933499090

1-苄基-1,2,3,4-四氢异喹啉海关

• 海关编码: 2933499090
• 中文概述: 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-苄基-1,2,3,4-四氢异喹啉靶点实验

查看更多实验

实验名称：Compound was tested for induction of phencyclidine (PCP) like ataxia behavior 来源：ChEMBL 靶标：Glutamate receptor ionotropic, NMDA 2C External Id：CHEMBL764429

实验名称：Ratio of Kii for human OCT1-ASP+-inhibitor complex to Kis for human OCT1-inhibitor co... 来源：ChEMBL 靶标：Solute carrier family 22 member 1 External Id：CHEMBL4009602

实验名称：Compound was tested for induction of phencyclidine (PCP) like stereotyped behavior 来源：ChEMBL 靶标：Glutamate receptor ionotropic, NMDA 2C External Id：CHEMBL764430

实验名称：Competitive inhibition of human OCT1 expressed in HEK293 cells assessed as decrease i... 来源：ChEMBL 靶标：Solute carrier family 22 member 1 External Id：CHEMBL4009600

实验名称：Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor 来源：ChEMBL 靶标：Sigma non-opioid intracellular receptor 1 External Id：CHEMBL808179

实验名称：Screen for inhibitors of RMI FANCM (MM2) intereaction 来源：11908 靶标：N/A External Id：RMI-FANCM-MM2

实验名称：Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to phencyclidine rece... 来源：ChEMBL 靶标：Lysosomal Pro-X carboxypeptidase External Id：CHEMBL764432

实验名称：Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ... 来源：ChEMBL 靶标：Solute carrier family 22 member 1 External Id：CHEMBL4009597

实验名称：ASTRAZENECA: Octan-1-ol/water (pH7.4) distribution coefficent measured by a shake fl... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3301363

实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

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1-苄基-1,2,3,4-四氢异喹啉英文别名

• (-+)-1-Benzyl-1,2,3,4-tetrahydro-isochinolin
• 1-phenylmethyl-1,2,3,4-tetrahydroisoquinoline
• 1,2,3,4-Tetrahydro-1-(phenylmethyl)isoquinoline
• 1-benzyl-1,2,3,4-tetrahydro-isoquinoline
• 1-benzyl-1,2,3,4-tetrahydroisoquinoline
• Isoquinoline,1-benzyl-1,2,3,4-tetrahydro
• (R,S)-Tetrahydrobenzylisoquinoline
• 1BnTIQ