N-(2-哌啶-4-基-乙基)-乙酰胺 | 70922-35-9

• 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: N-(2-哌啶-4-基-乙基)-乙酰胺
• 英文名称: 4-(2-[acetylamino]-ethyl)-piperidine
• 英文别名: 4-(2-acetamidoethyl)piperidine；N-(2-piperidin-4-yl-ethyl)-acetamide；4-(2-acetamidoethyl)piperidinium；N-(2-piperidin-4-ylethyl)acetamide
• CAS: 70922-35-9
• 化学式: C₉H₁₈N₂O
• mdl: MFCD06015510
• 分子量: 170.255
• InChiKey: HEMNPHJPHULGLQ-UHFFFAOYSA-N

物化性质

• 沸点：
  339.3±15.0 °C(Predicted)
• 密度：
  0.951±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  N-(2-哌啶-4-基-乙基)-乙酰胺 在 N-甲基吗啉 、 盐酸 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 N-[2-[1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(6-chloro-3,3-dimethyl-2,4-dihydro-1H-quinolin-8-yl)sulfonylamino]pentanoyl]piperidin-4-yl]ethyl]acetamide
  参考文献：
  名称：

  Design and Synthesis of Thrombin Inhibitors:  Analogues of MD-805 with Reduced Stereogenicity and Improved Potency

  摘要：

  Mitsubishi's MD-805, a potent and selective inhibitor of thrombin which contains four stereogenic centers, has been the starting point for an optimization program. A systematic synthetic study resulted in thrombin inhibit;ors achiral at P2 and P3 but with a 10-fold increase in potency over the original lead. A number of 4-substituted piperidines were synthesized and examined as replacements for 2-carboxy-4-methylpiperidine at P2; 4-fluoroethylpiperidine (FEP) among others provided inhibitors (e.g. 45g) of increased potency. An enantioselective route was developed to 3(R)-methyl-1,2,3,4-tetrahydroquinolinesulfonyl chloride. Inhibitors containing this enantiomerically pure P3 (42d) had similar potency to the racemic material and provided support, with modeling studies, for the preparation of the gem 3,3-disubstituted compounds. A series of inhibitors containing the novel 3,3-dimethyl-1,2,3,4-tetrahydroquinolinesulfonyl (DMTHQS) P3 (Table 5) were synthesized and showed a similar activity profile as the monomethyl series. The combination of P3-DMTHQS, PB-FEP, and P1-arginine (45g) had a K-i of 6 nM (MD-805 K-i = 85 nM). In animal models of both venous and arterial thrombosis, one inhibitor (42e) was shown to produce a dose-dependent inhibition of thrombus formation that in some situations was superior to that of MD-805.

  DOI：

  10.1021/jm9811209
• 作为产物：
  描述：

  N-(2-吡啶-4-基-乙基)-乙酰胺 在 氢氧化钾 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 N-(2-哌啶-4-基-乙基)-乙酰胺
  参考文献：
  名称：

  Cardiac stimulant 1-(3- or 4-substituted piperidino)phthalazines

  摘要：

  1-(3-或4-取代哌啶基)邻苯二嗪的结构式为##STR1##其中R为C.sub.1-6烷基；Y为3-或4-位取代基，为--X-(CHR.sup.1).sub.m -Z，其中R.sup.1为氢或C.sub.1-6烷基；m为1或2；X为氧或直链，但当m为1时，X为直链；Z为--N(R.sup.2)COR.sup.3，--N(R.sup.2)COOR.sup.3，--N(R.sup.2)SO.sub.2 R.sup.3，--N(R.sup.2)SO.sub.2 NR.sup.4 R.sup.5，--N(R.sup.2)SOR.sup.3，--N(R.sup.2)CONR.sup.4 R.sup.5或--OCONR.sup.4 R.sup.5，其中R.sup.2和R.sup.5各自独立地为氢或C.sub.1-6烷基；R.sup.3为C.sub.1-6烷基，苯乙基，苄基，C.sub.3-7环烷基，苯基或吡啶基；R.sup.4为氢或R.sup.3；但当X为直链时，R.sup.3或R.sup.4为C.sub.3-7环烷基；其药学上可接受的酸盐；其制备方法；以及它们作为心脏刺激剂和磷酸二酯酶抑制剂的用途。

  公开号：

  US04370328A1

文献信息

• [EN] 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10<br/>[FR] ANTAGONISTES DE 2-SULFONYLAMINO-4-HÉTÉROARYL BUTYRAMIDE DE CCR10
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009126675A1

  公开（公告）日：2009-10-15

  This invention relates to a compound of formula (I) and the pharmaceutically acceptable salts thereof wherein R1, R2, R4. Ar and Het are as defined herein. The invention also relates to methods of using the compound of formula (I) to treat a diseases and disorders that are mediated or sustained through the activity of CCR10.

  本发明涉及一种具有式（I）的化合物及其药学上可接受的盐，其中R1、R2、R4、Ar和Het如本文中所定义。该发明还涉及使用式（I）的化合物治疗通过CCR10活性介导或维持的疾病和紊乱的方法。
• OXOPIPERAZINE DERIVATIVES
  申请人：Inthera Bioscience AG

  公开号：US20190185449A1

  公开（公告）日：2019-06-20

  The present invention relates to novel compounds of formula (I) or formula (Ia) pharmaceutically-acceptable salts, hydrates, solvates, or stereoisomers thereof, and pharmaceutical compositions of these compounds which are useful for preventive and therapeutic use in human and veterinary medicine.

  本发明涉及化学式（I）或化学式（Ia）的新化合物及其药用盐、水合物、溶剂合物或立体异构体，以及这些化合物的药物组合物，可用于人类和兽医药物的预防和治疗。
• New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087
  申请人：Blomberg David

  公开号：US20090306133A1

  公开（公告）日：2009-12-10

  The present invention relates to Acetyl Coenzyme A Carboxylase (ACC) inhibitors according to formula (I), or an enantiomer thereof, or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , R 4 , R 5 , E, L, Z and n are as defined herein, to processes for preparing such compounds, to pharmaceutical compositions containing them, to the use of such inhibitors and to methods for their therapeutic use, particularly in the treatments of obesity and diabetes mellitus.

  本发明涉及Acetyl辅酶A羧化酶（ACC）抑制剂，其按照公式（I）或其对映体或其药学上可接受的盐，其中R1，R2，R3，R4，R5，E，L，Z和n的定义如本文所述，以及制备这种化合物的过程，包含它们的制药组合物，使用这种抑制剂的用途以及它们的治疗用途的方法，特别是在肥胖和糖尿病治疗中的应用。
• DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Adler Marc

  公开号：US20080176833A1

  公开（公告）日：2008-07-24

  This invention provides novel dihydropyridine derivatives of the formula I having protein tyrosine kinase inhibitory activity, to process for the manufacture thereof and to the use thereof for the treatment of c-Met-mediated diseases or c-Met-mediated conditions.

  本发明提供了一种具有蛋白酪氨酸激酶抑制活性的新型二氢吡啶衍生物，以及其制造方法和用于治疗c-Met介导的疾病或c-Met介导的病状的用途。
• 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10
  申请人：Abeywardane Asitha

  公开号：US20110275800A1

  公开（公告）日：2011-11-10

  This invention relates to a compound of formula (I) and the pharmaceutically acceptable salts thereof wherein R 1 , R 2 , R 4 . Ar and Het are as defined herein. The invention also relates to methods of using the compound of formula (I) to treat a diseases and disorders that are mediated or sustained through the activity of CCR 10 .

  本发明涉及公式(I)的化合物及其药学上可接受的盐，其中R1、R2、R4、Ar和Het的定义如本文所述。本发明还涉及使用公式(I)的化合物治疗通过CCR10活性介导或持续的疾病和障碍的方法。