benzyl 4-[(benzylamino)methyl]-4-hydroxy-1-piperidinecarboxylate | 785783-27-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 4-[(benzylamino)methyl]-4-hydroxy-1-piperidinecarboxylate
• 英文别名: Benzyl 4-[(benzylamino)methyl]-4-hydroxypiperidine-1-carboxylate
• CAS: 785783-27-9
• 化学式: C₂₁H₂₆N₂O₃
• 分子量: 354.449
• InChiKey: FJRVCYSTWYEQPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯乙酰氯 、 benzyl 4-[(benzylamino)methyl]-4-hydroxy-1-piperidinecarboxylate 在 potassium carbonate 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 0.5h， 生成 4-{[Benzyl-(2-chloro-acetyl)-amino]-methyl}-4-hydroxy-piperidine-1-carboxylic acid benzyl ester
  参考文献：
  名称：

  Antihypertensive 9-substituted 1-0xa-4,9-diazaspiro[5.5]undecan-3-ones

  摘要：

  Forty-one 9-substituted 1-oxa-4,9-diazaspiro[5.5]undecan-3-ones were prepared for antihypertensive screening in the spontaneously hypertensive rat (SHR). For the 9-(2-indol-3-ylethyl) series, the parent compound, 9-(2-indol-3-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (21), was the most potent antihypertensive agent. Substitution of lower alkyl groups on the spirolactam ring gave compounds close in activity to 21, while substitution with large alkyl or aryl groups led to a significant decrease in activity. Ring-opened analogues of 21 that contained the same functionality were markedly less active. Several 1-oxa-4,9-diazaspiro[5.5]undecan-3-ones substituted at the 9 position with 1,4-benzodioxan-2-ylmethyl, 1,4-benzodioxan-2-ylhydroxyethyl, and 2-phenylethyl groups also demonstrated significant activity. Compound 21 was chosen for a detailed pharmacological evaluation. Its antihypertensive activity appears to be predominantly due to peripheral alpha 1-adrenoceptor blockade.

  DOI：

  10.1021/jm00360a013
• 作为产物：
  描述：

  1-噁-6-氮杂螺[2.5]辛烷-6-羧酸苄酯 、 苄胺 以 异丙醇 为溶剂， 反应 8.0h， 生成 benzyl 4-[(benzylamino)methyl]-4-hydroxy-1-piperidinecarboxylate
  参考文献：
  名称：

  EP1619193

  摘要：

  公开号：

文献信息

• Spiro-piperidine compounds and medicinal use thereof
  申请人：Nishizawa Rena

  公开号：US20060229301A1

  公开（公告）日：2006-10-12

  The present invention relates to a spiro-piperidine compound represented by formula (I): wherein R 1 represents hydrogen, an aliphatic hydrocarbon group which may have a substituent(s) or a cyclic group which may have a substituent(s); and ring A represents a 5- to 8-membered cyclic group which may have a substituent(s), a salt thereof, an N-oxide thereof, a quaternary ammonium salt thereof or a solvate thereof, or a prodrug thereof. The compounds represented by formula (I) have chemokine antagonistic action, so that they are useful for prevention and/or treatment of various inflammatory diseases, immune diseases such as autoimmune diseases or allergic diseases, or HIV infection.

  本发明涉及一种由式（I）表示的螺环哌啶化合物：其中R1表示氢，可能具有取代基的脂肪烃基或可能具有取代基的环状基团；环A表示可能具有取代基的5-至8-成员环状基团，其盐，N-氧化物，季铵盐或溶剂化物，或其前药。式（I）所表示的化合物具有趋化因子拮抗作用，因此它们对于预防和/或治疗各种炎症性疾病，免疫性疾病如自身免疫性疾病或过敏性疾病，或HIV感染是有用的。
• SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF
  申请人：Nishizawa Rena

  公开号：US20100261641A1

  公开（公告）日：2010-10-14

  The present invention relates to a spiro-piperidine compound represented by formula (I): wherein R 1 represents hydrogen, an aliphatic hydrocarbon group which may have a substituent(s) or a cyclic group which may have a substituent(s); and ring A represents a 5- to 8-membered cyclic group which may have a substituent(s), a salt thereof, an N-oxide thereof, a quaternary ammonium salt thereof or a solvate thereof, or a prodrug thereof. The compounds represented by formula (I) have chemokine antagonistic action, so that they are useful for prevention and/or treatment of various inflammatory diseases, immune diseases such as autoimmune diseases or allergic diseases, or HIV infection.

  本发明涉及一种由式(I)表示的螺环哌啶化合物：其中，R1表示氢、可能具有取代基的脂肪烃基或可能具有取代基的环状基团；环A表示可能具有取代基的5-至8-成员环状基团，其盐、N-氧化物、季铵盐或溶剂化物，或其前药。式(I)所表示的化合物具有趋化因子拮抗作用，因此它们在预防和/或治疗各种炎症性疾病、免疫性疾病，如自身免疫性疾病或过敏性疾病，或HIV感染方面非常有用。
• SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1619193A1

  公开（公告）日：2006-01-25

  The present invention relates to a spiro-piperidine compound represented by formula (I): wherein R1 represents hydrogen, an aliphatic hydrocarbon group which may have a substituent(s) or a cyclic group which may have a substituent(s); and ring A represents a 5- to 8-membered cyclic group which may have a substituent(s), a salt thereof, an N-oxide thereof, a quaternary ammonium salt thereof or a solvate thereof, or a prodrug thereof The compounds represented by formula (I) have chemokine antagonistic action, so that they are useful for prevention and/or treatment of various inflammatory diseases, immune diseases such as autoimmune diseases or allergic diseases, or HIV infection.

  本发明涉及一种由式（I）表示的螺哌啶化合物： 其中 R1 代表氢、可具有取代基的脂肪族烃基或可具有取代基的环状基团；式（I）代表的化合物具有趋化因子拮抗作用，因此可用于预防和/或治疗各种炎症性疾病、免疫性疾病（如自身免疫性疾病或过敏性疾病）或 HIV 感染。
• Spiro-piperidine compounds as chemokine receptor antagonists and medicinal use thereof
  申请人：ONO Pharmaceutical Co., Ltd.

  公开号：EP2364982A1

  公开（公告）日：2011-09-14

  The present invention relates to a spiro-piperidine compound represented by formula (I): wherein R1 represents hydrogen, an aliphatic hydrocarbon group which may have a substituent(s) or a cyclic group which may have a substituent(s); and ring A represents a 5- to 8-membered cyclic group which may have a substituent(s), a salt thereof, an N-oxide thereof, a quaternary ammonium salt thereof or a solvate thereof, or a prodrug thereof. The compounds represented by formula (I) have chemokine antagonistic action, so that they are useful for prevention and/or treatment of various inflammatory diseases, immune diseases such as autoimmune diseases or allergic diseases, or HIV infection.

  本发明涉及一种由式（I）表示的螺哌啶化合物： 其中 R1 代表氢、可具有取代基的脂族烃基或可具有取代基的环状基团；环 A 代表可具有取代基的 5 至 8 元环状基团、其盐、其 N-氧化物、其季铵盐或其溶液或其原药。式 (I) 所代表的化合物具有趋化因子拮抗作用，因此可用于预防和/或治疗各种炎症性疾病、免疫性疾病（如自身免疫性疾病或过敏性疾病）或 HIV 感染。
• US7498323B2
  申请人：——

  公开号：US7498323B2

  公开（公告）日：2009-03-03