苯并曲普

• 常用名: 苯并曲普
• 英文名: benzotript
• CAS号: 39544-74-6
• 分子量: 342.78
• 密度: N/A
• 沸点: 643.7ºC at 760 mmHg
• 分子式: C₁₈H₁₅ClN₂O₃
• 熔点: N/A
• 闪点: 343.1ºC

苯并曲普用途

苯并曲普是一种胆囊收缩素受体(CCK)和胃泌素受体拮抗剂。苯并曲普在人类结肠癌细胞系中显示出抗增殖作用[1]。

苯并曲普名称

• 中文名: N-(4-氯苯甲酰)-L-色氨酸
• 英文名: benzotript
• 中文别名: 苯并曲普

苯并曲普生物活性

• 描述: 苯并曲普是一种胆囊收缩素受体(CCK)和胃泌素受体拮抗剂。苯并曲普在人类结肠癌细胞系中显示出抗增殖作用[1]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 胆囊收缩素受体
  研究领域 >> 炎症/免疫
• 参考文献:

  [1]. N M Hoosein, et al. Antiproliferative effects of gastrin receptor antagonists and antibodies to gastrin on human colon carcinoma cell lines. Cancer Res. 1988 Dec 15;48(24 Pt 1):7179-83.

  [2]. C Niederau, et al. Caerulein-induced acute necrotizing pancreatitis in mice: protective effects of proglumide, benzotript, and secretin. Gastroenterology. 1985 May;88(5 Pt 1):1192-204.

苯并曲普物理化学性质

• 沸点: 643.7ºC at 760 mmHg
• 分子式: C₁₈H₁₅ClN₂O₃
• 分子量: 342.78
• 闪点: 343.1ºC
• 精确质量: 342.07700
• PSA: 82.19000
• LogP: 3.63790
• InChIKey: QJERBBQXOMUURJ-INIZCTEOSA-N
• SMILES: O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:3

  4.可旋转化学键数量:5

  5.互变异构体数量:2

  6.拓扑分子极性表面积82.2

  7.重原子数量:24

  8.表面电荷:0

  9.复杂度:465

  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

苯并曲普安全信息

• 海关编码: 2933990090

苯并曲普海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 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: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

苯并曲普靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen 来源：NCGC External Id：tdp43-p2-repeat

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

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苯并曲普英文别名

• N-carbamothioyl-4-chloro-benzamide
• EINECS 254-500-0
• N-p-Chlorbenzoyl-thioharnstoff
• (4-chloro-benzoyl)-thiourea
• N-p-chlorobenzoyl-L-tryptophane
• N-(4-chlorobenzoyl)-L-tryptophan