N-[(pyridin-4-ylcarbamoyl)amino]-1,2,3,6-tetrahydropyridine | 102671-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-[(pyridin-4-ylcarbamoyl)amino]-1,2,3,6-tetrahydropyridine
• 英文别名: N-[(4-pyridylcarbamoyl)amino]-1,2,3,6-tetrahydropyridine；N-(4-Pyridylcarbamoyl)amino 1,2,3,6-tetrahydropyridine；1-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridin-4-ylurea
• CAS: 102671-35-2
• 化学式: C₁₁H₁₄N₄O
• 分子量: 218.258
• InChiKey: QKXWNCGIAHHUNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  57.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-异氰酸酯吡啶 、 1-amino-1,2,3,6-tetrahydropyridine hydrochloride 生成 N-[(pyridin-4-ylcarbamoyl)amino]-1,2,3,6-tetrahydropyridine
  参考文献：
  名称：

  Semicarbazide derivatives, processes for preparation thereof and

  摘要：

  新的半卡巴肼衍生物的化学式为：##STR1## 其中R.sup.1为氢，R.sup.2为氢，低碳基，芳基（低）烷基，低烯基或芳基，R.sup.3为低碳基，芳基（低）烷基，低烯基或芳基，或R.sup.2和R.sup.3结合形成（C.sub.2-C.sub.6）烷基亚甲基基团，可选地取代为芳基，或与相邻的氮原子结合形成饱和或不饱和的，5-或6-成员的杂环基团，可选地取代为芳基；或R.sup.1和R.sup.2与相邻的氮原子结合形成饱和或不饱和的，5-或6-成员的杂环基团或1,2-二氮杂螺环烷-1,2-二基基团，R.sup.3为氢，低碳基，芳基（低）烷基，低烯基或芳基；R.sup.4为芳基，可具有从低碳基，卤素，低烷氧基，低烷基胺基，卤代（低）烷基，羟基，低烷酰基，酯化羧基和羧基中选择的取代基，R.sup.5为氢或低碳基，X为O或S，但当R.sup.2为氢或（C.sub.1-C.sub.2）烷基，R.sup.3为（C.sub.3-C.sub.6）烷基时，R.sup.4为芳基，可选地具有从卤素，低碳基，低烷氧基和卤代（低）烷基中选择的取代基，以及其药学上可接受的盐，制备方法和包含它们的制药组合物。这些衍生物及其盐可用作抗炎和镇痛剂。

  公开号：

  US04725608A1

文献信息

• Semicarbazide derivatives, processes for preparation thereof and
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04725608A1

  公开（公告）日：1988-02-16

  New semicarbazide derivatives of the formula: ##STR1## wherein R.sup.1 is hydrogen, R.sup.2 is hydrogen, lower alkyl, ar(lower)alkyl, lower alkenyl or aryl, R.sup.3 is lower alkyl, ar(lower)alkyl, lower alkenyl or aryl, or R.sup.2 and R.sup.3 are taken together to form (C.sub.2 -C.sub.6)alkylidene group optionally substituted with aryl or taken together with the adjacent nitrogen atom to form a saturated or unsaturated, 5- or 6-membered heterocyclic group optionally substituted with aryl; or R.sup.1 and R.sup.2 are taken together with the adjacent nitrogen atoms to form a saturated or unsaturated, 5- or 6-membered heterocyclic group or 1,2-diazaspiroalkane-1,2-diyl group, R.sup.3 is hydrogen, lower alkyl, ar(lower)alkyl, lower alkenyl or aryl; R.sup.4 is aryl which may have substituent(s) selected from lower alkyl, halogen, lower alkoxy, lower alkylamino, halo(lower)alkyl, hydroxy, lower alkanoyl, esterified carboxy and carboxy, R.sup.5 is hydrogen or lower alkyl, and X is O or S, provided that the lower alkyl group for R.sup.3 is (C.sub.3 -C.sub.6)alkyl, when R.sup.2 is hydrogen or (C.sub.1 -C.sub.2) alkyl and R.sup.4 is aryl optionally having substituent(s) selected from groups consisting of halogen, lower alkyl, lower alkoxy and halo(lower)alkyl, and pharmaceutically acceptable salts thereof, and processes for preparation thereof and pharmaceutical composition comprising the same. These derivatives and salts thereof are useful as antiinflammatory and analgesic agents.

  新的半卡巴肼衍生物的化学式为：##STR1## 其中R.sup.1为氢，R.sup.2为氢，低碳基，芳基（低）烷基，低烯基或芳基，R.sup.3为低碳基，芳基（低）烷基，低烯基或芳基，或R.sup.2和R.sup.3结合形成（C.sub.2-C.sub.6）烷基亚甲基基团，可选地取代为芳基，或与相邻的氮原子结合形成饱和或不饱和的，5-或6-成员的杂环基团，可选地取代为芳基；或R.sup.1和R.sup.2与相邻的氮原子结合形成饱和或不饱和的，5-或6-成员的杂环基团或1,2-二氮杂螺环烷-1,2-二基基团，R.sup.3为氢，低碳基，芳基（低）烷基，低烯基或芳基；R.sup.4为芳基，可具有从低碳基，卤素，低烷氧基，低烷基胺基，卤代（低）烷基，羟基，低烷酰基，酯化羧基和羧基中选择的取代基，R.sup.5为氢或低碳基，X为O或S，但当R.sup.2为氢或（C.sub.1-C.sub.2）烷基，R.sup.3为（C.sub.3-C.sub.6）烷基时，R.sup.4为芳基，可选地具有从卤素，低碳基，低烷氧基和卤代（低）烷基中选择的取代基，以及其药学上可接受的盐，制备方法和包含它们的制药组合物。这些衍生物及其盐可用作抗炎和镇痛剂。
• Semicarbazide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0168005B1

  公开（公告）日：1990-04-18
• JPS6144864A
  申请人：——

  公开号：JPS6144864A

  公开（公告）日：1986-03-04
• US4694004A
  申请人：——

  公开号：US4694004A

  公开（公告）日：1987-09-15
• [EN] COMPOSITION COMPRISING: SEROTONIN RECEPTOR ANTAGONISTS (5HT-2, 5HT-3) AND AGONIST (5HT-4)<br/>[FR] COMPOSITION COMPRENANT DES AGONISTES (5HT-4) ET DES ANTAGONISTES (5HT-2, 5HT-3) RECEPTEURS DE LA SEROTONINE
  申请人：RESPIRATORIUS AB

  公开号：WO2002036113A1

  公开（公告）日：2002-05-10

  A composition comprising a combination of a) at least one compound with agonist activity to the 5-HT4 receptor, b) at least one compound with antagonist activity to the 5-HT3 receptor, and c) at least one compound with antagonist activity to the 5-HT2 receptor is described.