2-(2-甲基-1-哌啶基)乙胺 | 768-08-1

• 物质功能分类: 生物化工 - 生化试剂 - 胺、酸和盐
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-(2-甲基-1-哌啶基)乙胺
• 中文别名: 2-(2-甲基哌啶-1-基)乙胺
• 英文名称: 2-(2-methylpiperidin-1-yl)ethanamine
• 英文别名: 2-<2-Methyl-piperidino>-ethylamin；2-(2-methyl-piperidin-1-yl)-ethylamine；1-(2-aminoethyl)-2-methylpiperidine；2-(2-methyl-piperidine-1-yl)-ethylamine
• CAS: 768-08-1
• 化学式: C₈H₁₈N₂
• mdl: MFCD03030380
• 分子量: 142.244
• InChiKey: DBSDZVMWEMKFCH-UHFFFAOYSA-N

物化性质

• 沸点：
  88-91 °C(Press: 18 Torr)
• 密度：
  0.895±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P210,P260,P264,P271,P280,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310,P363,P370+P378,P403+P233,P403+P235,P405,P501
• 危险品运输编号：
  2735
• 危险性描述：
  H335,H314,H227

反应信息

• 作为反应物：
  描述：

  2-(2-甲基-1-哌啶基)乙胺 、 1-(4-Carboxyphenyl)-2-phenyl-4,5,6,7-tetrahydroindol 在 4-二甲氨基吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以80%的产率得到N-[2-(2-methylpiperidin-1-yl)ethyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
  参考文献：
  名称：

  WO2008/116926

  摘要：

  公开号：

文献信息

• Design, Synthesis, and Antiproliferative Activity of 3,4-Diarylpyrazole-1-carboxamide Derivatives Against Melanoma Cell Line
  作者：Mohammed I. El-Gamal、Hong Seok Choi、Hae-Guk Cho、Jun Hee Hong、Kyung Ho Yoo、Chang-Hyun Oh

  DOI：10.1002/ardp.201000375

  日期：2011.11

  Synthesis of a new series of 3,4‐diarylpyrazole‐1‐carboxamide derivatives is described. Their antiproliferative activity against A375P human melanoma cell line was tested and the effect of substituents on the diarylpyrazole scaffold was investigated. The biological results indicated that five synthesized compounds (Ig, Ii, IIc, IIg, and IIh) exhibited similar activity to Sorafenib. In addition, three

  描述了一系列新的 3,4-二芳基吡唑-1-甲酰胺衍生物的合成。测试了它们对 A375P 人黑色素瘤细胞系的抗增殖活性，并研究了取代基对二芳基吡唑支架的影响。生物学结果表明，五种合成化合物（Ig、Ii、IIc、IIg 和 IIh）表现出与索拉非尼相似的活性。此外，三种化合物（IIa、IIb 和 IIi）比索拉非尼更有效。在所有这些衍生物中，具有二甲氨基和酚部分的化合物 IIa 对 A375P 人黑色素瘤细胞系显示出最有效的抗增殖活性。通过将最有效的化合物 IIa 对接到 V600E-b-Raf 域中进行虚拟筛选，并研究了结合模式。
• NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY
  申请人：Yamagishi Tatsuya

  公开号：US20110275628A1

  公开（公告）日：2011-11-10

  Disclosed is a compound represented by general formula (I) or a pharmaceutically acceptable salt thereof, which is useful as a selective antagonist of a 5-HT 2B receptor. The compound and salt are useful for treatment or prevention of various diseases and conditions associated with a 5-HT 2B receptor.

  揭示的是由通式（I）表示的化合物或其药用可接受盐，其作为5-HT2B受体的选择性拮抗剂是有用的。该化合物和盐可用于治疗或预防与5-HT2B受体相关的各种疾病和症状。
• Solution-phase Synthesis of a Combinatorial Library of 3-[4-(Coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acid Amides
  作者：I. Zhuravel、S. Kovalenko、S. Vlasov、V. Chernykh

  DOI：10.3390/10020444

  日期：——

  The parallel solution-phase synthesis of a new combinatorial library of 3-[4-(R1-coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acid amides 9 has been developed. The synthesis involves two steps: 1) the synthesis of core building blocks - 3- [4-(coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acids, 6 - by the reaction of 3-(omega-bromacetyl)coumarins 1 with 3-amino(thioxo)methylcarbamoylpropanoic

  开发了 3-[4-(R1-香豆素-3-基)-1,3-噻唑-2-基氨基甲酰基]丙酰胺 9 的新组合库的平行溶液相合成。合成涉及两个步骤：1) 通过 3-(欧米茄-溴乙酰基）香豆素 1 与 3-氨基（硫代）甲基氨基甲酰基丙酸（5）；2)使用1,1'-羰基二咪唑作为偶联剂合成相应的3-[4-(香豆素-3-基)-1,3-噻唑-2-基-氨基甲酰基]丙酰胺9。讨论了该方法与现有方法相比的优点。
• Design and Synthesis of 3-(3-Chloro-4-substituted phenyl)-4-(pyridin-4-yl)-1Hpyrazole- 1-carboxamide Derivatives and Their Antiproliferative Activity Against Melanoma Cell Line
  作者：Mohammed I. El-Gamal、Chang-Hyun Oh

  DOI：10.5012/bkcs.2011.32.3.821

  日期：2011.3.20

  Design and synthesis of new 3,4-diarylpyrazole-1-carboxamide derivatives are described. Their antiproliferative activity against A375 human melanoma cell line was tested and the effect of substituents on the diarylpyrazole scaffold was investigated. The pharmacological results indicated that most of the synthesized compounds showed moderate activity against A375, compared with Sorafenib. On the other hand, compounds Ia, Ie, IIb, and IIh were more potent than Sorafenib. In addition, compound IIa was equipotent to Sorafenib. Among all of these derivatives, compound IIb which has diethylamino and phenolic moieties showed the most potent antiproliferative activity against A375 human melanoma cell line. Virtual screening was carried out through docking of the most potent compound IIb into the domain of V600E-b-Raf and the binding mode was studied.

  描述了新型3,4-二芳基吡唑-1-氨基甲酸酯衍生物的设计和合成。测试了它们对A375人黑色素瘤细胞系的抗增殖活性，并研究了取代基对二芳基吡唑骨架的影响。药理结果表明，与索拉非尼相比，大多数合成的化合物对A375显示出中等活性。另一方面，化合物Ia、Ie、IIb和IIh的活性优于索拉非尼。此外，化合物IIa的活性与索拉非尼相当。在所有这些衍生物中，化合物IIb含有二乙基氨基和酚类基团，显示出对A375人黑色素瘤细胞系最强的抗增殖活性。通过将活性最强的化合物IIb对接至V600E-b-Raf的结构域，进行了虚拟筛选，并研究了其结合模式。
• Synthesis of 1H-Pyrazole-1-carboxamide Derivatives and Their Antiproliferative Activity against Melanoma Cell Line
  作者：Mohammed I. El-Gamal、Tae Bo Sim、Jun Hee Hong、Jung-Hyuck Cho、Kyung Ho Yoo、Chang-Hyun Oh

  DOI：10.1002/ardp.201000057

  日期：2011.3

  Synthesis of a new series of 1H‐pyrazole‐1‐carboxamide derivatives is described. Their antiproliferative activity against A375 human melanoma cell line was tested and the effect of substituents on the diarylpyrazole scaffold was investigated. The pharmacological results indicated that most of the newly synthesized compounds showed moderate activity against A375, compared with sorafenib. Among all of

  描述了一系列新的 1H - 吡唑 - 1 - 甲酰胺衍生物的合成。测试了它们对 A375 人黑色素瘤细胞系的抗增殖活性，并研究了替代物对二芳基吡唑支架的影响。药理结果表明，与索拉非尼相比，大多数新合成的化合物对 A375 表现出中等活性。在所有这些衍生物中，具有 N-甲基哌嗪基和酚基部分的化合物 IIe 对 A375 人黑色素瘤细胞系显示出最有效的抗增殖活性。