N,N-二丙基色胺 | 61-52-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 吲哚类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: N,N-二丙基色胺
• 中文别名: 3-[2-(二丙基氨基)乙基]吲哚盐酸盐
• 英文名称: N,N-dipropyltryptamine
• 英文别名: Dipropyltryptamine；N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
• CAS: 61-52-9
• 化学式: C₁₆H₂₄N₂
• 分子量: 244.38
• InChiKey: BOOQTIHIKDDPRW-UHFFFAOYSA-N

物化性质

• 熔点：
  174-178 °C
• 沸点：
  387.4±25.0 °C(Predicted)
• 密度：
  1.014±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  19
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  N,N-二丙基色胺 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 反应 0.17h， 以85%的产率得到C₁₆H₂₄N₂O
  参考文献：
  名称：

  Tryptamine derivatives as novel non-nucleosidic inhibitors against hepatitis B virus

  摘要：

  A series of tryptamine derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compounds 2e and 4a showed potent antiviral activity (IC(50) = 0.4 and < 1 mu M, respectively) and low cytotoxicity (CC(50) = 40.6 and > 25 mu M, respectively). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.04.004
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 四氢呋喃 、 lithium aluminium tetrahydride 作用下， 生成 N,N-二丙基色胺
  参考文献：
  名称：

  Barlow; Khan, British Journal of Pharmacology and Chemotherapy, 1959, vol. 14, p. 99,101

  摘要：

  DOI：
• 作为试剂：
  描述：

  3-氨基-5-苯基噻吩-2-甲酸甲酯 在 N,N-二丙基色胺 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 3-isothiocyanato-5-phenylthiophene-2-carboxylate
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Sulfonilamidothienopyrimidinone Derivatives as Novel Anti-inflammatory Agents

  摘要：

  我们合成了八种新的磺胺噻吩嘧啶酮衍生物（1-8），并评估了它们对人类角朊细胞系 NCTC 2544 的抗炎活性。通过 Western 印迹检测环氧化酶（COX）-2、诱导型 NO 合酶（iNOS）、细胞间粘附分子-1（ICAM-1）的表达以及前列腺素（PG）E2 和白细胞介素-8（IL-8）的释放，评估了衍生物（1-8）潜在的抗炎活性。我们的研究结果表明，3、5、6 和 8 号衍生物对 iNOS、COX-2、ICAM-1、MCP-1 和 IL-8 等炎症标志物有很好的抑制作用。这些发现有助于开发治疗各种炎症的新药。

  DOI：

  10.2174/1573406410666140228152807

文献信息

• [EN] SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE<br/>[FR] LIGANDS DE RÉCEPTEUR SIGMA-1 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：WISCONSIN ALUMNI RES FOUND

  公开号：WO2010059711A1

  公开（公告）日：2010-05-27

  The invention provides compounds of formula I and compositions thereof. The invention further provides methods of using the compounds and compositions. The compounds of the invention can provide high affinity binding to sigma-1 receptors in a mammal. The compounds can exhibit selectivity for the sigma-1 receptor over the sigma-2 receptor. The compounds and compositions of the invention can also be used to treat conditions that involve the sigma-1 receptor, such as addiction, cardiovascular conditions, and cancer, for example, cancer of the breast, lung, prostate, ovarian, colorectal, or the CNS.

  这项发明提供了公式I的化合物及其组合物。该发明还提供了使用这些化合物和组合物的方法。该发明的化合物可以在哺乳动物体内与sigma-1受体发生高亲和结合。这些化合物可以表现出对sigma-1受体优先于sigma-2受体的选择性。该发明的化合物和组合物还可用于治疗涉及sigma-1受体的疾病，例如成瘾、心血管疾病和癌症，例如乳腺癌、肺癌、前列腺癌、卵巢癌、结肠直肠癌或中枢神经系统癌症。
• [EN] METHODS OF TREATING PSYCHOLOGICAL CONDITIONS<br/>[FR] PROCÉDÉS DE TRAITEMENT DE TROUBLES PSYCHOLOGIQUES
  申请人：UNIV OKLAHOMA STATE

  公开号：WO2010151258A1

  公开（公告）日：2010-12-29

  A method and composition for inducing in a subject a tolerance to a psychoactive substance or for treating an abnormal mental condition in a subject. The composition used in the method comprises in one embodiment a 5-HT2B receptor agonist disposed within a pharmaceutically-acceptable vehicle or carrier.

  一种用于诱导受试者对精神活性物质产生耐受性或用于治疗受试者异常精神状况的方法和组合物。该方法中使用的组合物在一个实施例中包括一个5-HT2B受体激动剂，该激动剂被置于药学上可接受的载体或载体中。
• PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES
  申请人：Bednarek Pawel

  公开号：US20090028796A1

  公开（公告）日：2009-01-29

  The present invention is directed to pesticidal compositions comprising indole derivatives. These indole derivatives are especially active against phytopathogenic fungi. Furthermore, the invention relates to the use of indole derivatives for the production of pesticides and the use of the compositions according to the invention as pesticides. The present invention is also directed to a process for producing a pesticidal composition and to pesticidal compositions prepared by this process. In addition, the invention relates to a process for preventing or combating pests and to a process for protecting plants against pests, especially against phytopathogenic fungi. Further, the invention is directed to plants or seeds as well as objects or materials which have been protected against pests by treatment with a composition according to the invention. Further, the invention is directed to a method for identifying a substance having pesticidal activity. Further, the invention is directed to a method of identifying the mode of action of and/or of providing binding proteins for a pesticidal compound of the present invention. Finally, the invention is directed to a method for diagnosing pest infection of a plant and to the use of a pesticidal compound of the present invention as diagnostic markers.

  本发明涉及包含吲哚衍生物的杀虫组合物。这些吲哚衍生物特别对植物病原真菌具有活性。此外，本发明涉及使用吲哚衍生物制备杀虫剂以及使用本发明中的组合物作为杀虫剂。本发明还涉及制备杀虫组合物的过程以及通过该过程制备的杀虫组合物。此外，本发明还涉及预防或对抗害虫的过程以及保护植物免受害虫，特别是植物病原真菌的过程。此外，本发明还涉及经过本发明中的组合物处理后受到保护的植物或种子以及物体或材料。本发明还涉及识别具有杀虫活性的物质的方法。此外，本发明还涉及识别本发明中杀虫化合物的作用方式和/或提供结合蛋白的方法。最后，本发明涉及诊断植物害虫感染的方法以及使用本发明中的杀虫化合物作为诊断标记的方法。
• SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE
  申请人：Ruoho Arnold E.

  公开号：US20100179111A1

  公开（公告）日：2010-07-15

  The invention provides compounds of formula I and compositions thereof. The invention further provides methods of using the compounds and compositions. The compounds of the invention can provide high affinity binding to sigma-1 receptors in a mammal. The compounds can exhibit selectivity for the sigma-1 receptor over the sigma-2 receptor. The compounds and compositions of the invention can also be used to treat conditions that involve the sigma-1 receptor, such as addiction, cardiovascular conditions, and cancer, for example, cancer of the breast, lung, prostate, ovarian, colorectal, or the CNS.

  该发明提供了式I的化合物及其组合物。该发明还提供了使用这些化合物和组合物的方法。该发明的化合物可以在哺乳动物体内与sigma-1受体发生高亲和力结合。这些化合物可以表现出对sigma-2受体的选择性。该发明的化合物和组合物也可用于治疗涉及sigma-1受体的疾病，例如成瘾、心血管疾病和癌症，例如乳腺癌、肺癌、前列腺癌、卵巢癌、结直肠癌或中枢神经系统癌症。
• SELECTIVE SIGMA-1 RECEPTOR LIGANDS
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20130102571A1

  公开（公告）日：2013-04-25

  The invention provides compounds of the formulas described herein and compositions thereof. The invention further provides methods of using the compounds and compositions. The compounds of the invention can provide high affinity binding to sigma-1 receptors in a mammal. The compounds can exhibit selectivity for the sigma-1 receptor over the sigma-2 receptor. The compounds and compositions of the invention can also be used to treat conditions that involve the sigma-1 receptor, such as addiction, cardiovascular conditions, and cancer, for example, cancer of the breast, lung, prostate, ovarian, colorectal, or the CNS.

  该发明提供了描述在此处的化学式的化合物及其组成物。该发明还提供了使用这些化合物和组成物的方法。该发明的化合物可以在哺乳动物中提供对sigma-1受体的高亲和力结合。这些化合物可以表现出对sigma-2受体的选择性。该发明的化合物和组成物也可以用于治疗涉及sigma-1受体的疾病，例如成瘾、心血管疾病和癌症，例如乳腺癌、肺癌、前列腺癌、卵巢癌、结直肠癌或中枢神经系统癌症。