N-(cyclohexylmethyl)-N-[2-(1-pyrrolidinyl)ethyl]amine | 1042613-82-0

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-(cyclohexylmethyl)-N-[2-(1-pyrrolidinyl)ethyl]amine
• 英文别名: (Cyclohexylmethyl)[2-(pyrrolidin-1-yl)ethyl]amine；N-(cyclohexylmethyl)-2-pyrrolidin-1-ylethanamine
• CAS: 1042613-82-0
• 化学式: C₁₃H₂₆N₂
• mdl: MFCD11159799
• 分子量: 210.363
• InChiKey: QGBUXUMISNANLD-UHFFFAOYSA-N

物化性质

• 沸点：
  284.8±8.0 °C(Predicted)
• 密度：
  0.934±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(cyclohexylmethyl)-N-[2-(1-pyrrolidinyl)ethyl]amine 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 6-(4-carboxybutoxy)carbostyril 、 氯甲酸异丁酯 在 sodium hydroxide 作用下， 以 氯仿 为溶剂， 生成 6-[4-{N-cyclohexylmethyl-N-[2-(1-pyrrolidinyl)ethyl]aminocarbonyl}butoxy]carbostyril
  参考文献：
  名称：

  Carbostyril derivative

  摘要：

  碳基喹啉化合物或其盐的化学式为##STR1##其中A为C.sub.1 -C.sub.6烷基链；R.sup.1为C.sub.3 -C.sub.8环烷基-C.sub.1 -C.sub.6烷基链，可能具有以下基团之一作为取代基：C.sub.1 -C.sub.6烷氧羰基，羧基，C.sub.2 -C.sub.6烷酰氧-C.sub.1 -C.sub.6烷基群，氨基-C.sub.1 -C.sub.6烷基群，C.sub.1 -C.sub.6烷基氨基-C.sub.1 -C.sub.6烷基群和羟基-C.sub.1 -C.sub.6烷基群，C.sub.3 -C.sub.8环烷基群，四氢吡喃基-C.sub.1 -C.sub.6烷基群，C.sub.1 -C.sub.3烷二氧基基团取代的C.sub.1 -C.sub.6烷基群，苯基-C.sub.1 -C.sub.6烷基群，在苯环上取代基为1至3个来自C.sub.1 -C.sub.6烷基群和羟基的基团，或者带有C.sub.1 -C.sub.6烷基群作为取代基的哌啶基-C.sub.1 -C.sub.6烷基群；R.sup.2为5-或6-成员饱和或不饱和杂环-C.sub.1 -C.sub.6烷基群，所述杂环选自吡咯啉基、吗啉基、哌啶基、硫代吗啉基、咪唑基、1,2,4-三唑基、呋基、哌嗪基、吡啶基、四氢吡喃基和1,3-氧硫杂环基团，可能具有以下基团之一作为取代基：羟基-C.sub.1 -C.sub.6烷基群，C.sub.2 -C.sub.6烷酰氧-C.sub.1 -C.sub.6烷基群，羟基，C.sub.1 -C.sub.6烷基群，氨基-C.sub.1 -C.sub.6烷基群，C.sub.1 -C.sub.6烷基氨基-C.sub.1 -C.sub.6烷基群，C.sub.1 -C.sub.6烷氧基群，C.sub.1 -C.sub.6烷氧-C.sub.1 -C.sub.6烷氧基群，C.sub.1 -C.sub.6烷氧-C.sub.1 -C.sub.6烷基群，硫基和C.sub.1 -C.sub.6烷基酰胺基团；在碳基喹啉骨架的3-位和4-位之间的碳-碳键为单键或双键，其中药物组合物含有该化合物作为活性成分。

  公开号：

  US05227381A1

文献信息

• [EN] NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES<br/>[FR] NOUVEAUX COMPOSÉS UTILES POUR LE TRAITEMENT DE MALADIES DÉGÉNÉRATIVES ET INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2009071707A1

  公开（公告）日：2009-06-11

  The present invention relates to compounds that are inhibitors of PDElA, a phosphodiesterase that is involved in the modulation of the degradation of cartilage, joint degeneration and diseases involving such degradation and/or inflammation, and particularly, to a compound according to formula (I), or a pharmaceutically acceptable salt, hydrate, solvate or prodrug thereof or isotopic variants thereof, stereoisomers or tautomers thereof. The invention extends to compositions, including pharmaceutical compositions, and corresponding uses thereof, and methods of prophylaxis and treatment involving the same.

  本发明涉及一类抑制PDElA的化合物，PDElA是一种参与软骨降解、关节退化以及涉及该降解和/或炎症的疾病调控的磷酸二酯酶，特别是一种符合以下式（I）的化合物，或其药学上可接受的盐、水合物、溶剂合物或前药，或其同位素变体、立体异构体或互变异构体。该发明涉及包括药物组合物在内的组合物，以及其相应的用途，涉及预防和治疗的方法。
• CARBOSTYRIL DERIVATIVES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0450066A1

  公开（公告）日：1991-10-09

  This invention relates to carbostyril derivatives represented by general formula (1), a process for their preparation, and an agent for inhibiting agglutination of platelets containing them as an active ingredient, wherein A represents a lower alkylene group, R1 represents a substituted or unsubstituted cycloalkyl-lower alkyl group, a cycloalkyl group, a tetrahydropyranyl* lower alkyl group, a lower alkylenedioxy-substituted lower alkyl group, a substituted phenyl-lower alkyl group or a lower alkyl-substituted piperidinyl-lower alkyl group, R2 represents a substituted or unsubstituted 5- or 6-membered, saturated or unsaturated heterocyclic-lower alkyl group, a tetrahydropyranylthio-lower alkyl group, a pyridylthio-lower alkyl group, a lower alkylene-dioxy-substituted lower alkyl group or a substituted or unsubstituted lower alkyl group, and the carbon-to-carbon bond between the 3- position and the 4-position of the carbostyril skeleton represents either a single or a double bond.

  本发明涉及通式(1)代表的碳化二氢吡啶衍生物、其制备工艺以及含有其作为活性成分的抑制血小板凝集的制剂，其中A代表低级亚烷基，R1代表取代或未取代的环烷基-低级烷基、环烷基、四氢吡喃基*低级烷基、低级亚烷基-二氧基取代的低级烷基、取代的苯基-低级烷基或低级烷基-取代的哌啶基-低级烷基、R2 代表取代或未取代的 5 或 6 元、饱和或不饱和杂环低级烷基、四氢吡喃硫基低级烷基、吡啶硫基低级烷基、亚烷基二氧基取代的低级烷基或取代或未取代的低级烷基，碳四吡啶骨架的 3 位和 4 位之间的碳-碳键代表单键或双键。
• US5227381A
  申请人：——

  公开号：US5227381A

  公开（公告）日：1993-07-13
• US5401740A
  申请人：——

  公开号：US5401740A

  公开（公告）日：1995-03-28
• Carbostyril derivative
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US05227381A1

  公开（公告）日：1993-07-13

  Carbostyril compounds or salts thereof of the formula ##STR1## wherein A is a C.sub.1 -C.sub.6 alkylene group; R.sup.1 is a C.sub.3 -C.sub.8 cycloalkyl-C.sub.1 -C.sub.6 alkyl group which may have, as a substituent, a group selected from the group consisting of C.sub.1 -C.sub.6 alkoxycarbonyl groups, a carboxy group, C.sub.2 -C.sub.6 alkanoyloxy-C.sub.1 -C.sub.6 alkyl groups, amino-C.sub.1 -C.sub.6 alkyl groups, C.sub.1 -C.sub.6 alkylamino-C.sub.1 -C.sub.6 alkyl groups and hydroxy-C.sub.1 -C.sub.6 alkyl groups, a C.sub.3 -C.sub.8 cycloalkyl group, a tetrahydropyranyl-C.sub.1 -C.sub.6 alkyl group, a C.sub.1 -C.sub.3 alkylenedioxy group-substituted C.sub.1 -C.sub.6 alkyl group, a phenyl-C.sub.1 -C.sub.6 alkyl group having, as a substituent on the phenyl ring, 1 to 3 groups selected from the group consisting of C.sub.1 -C.sub.6 alkyl groups and a hydroxyl group, or a piperidinyl-C.sub.1 -C.sub.6 alkyl group having a C.sub.1 -C.sub.6 alkyl group as a substituent; R.sup.2 is a 5-membered or 6-membered saturated or unsaturated heterocyclic-C.sub.1 -C.sub.6 alkyl group, said heterocyclic being selected from the group consisting of pyrrolidinyl, morpholino, piperidinyl, thiomorpholino, imidazolyl, 1,2,4-triazolyl, furyl, piperazinyl, pyridyl, tetrahydropyranyl and 1,3-oxathiolranyl groups which may have, as a substituent thereon 1 to 3 groups selected from the group consisting of hydroxy-C.sub. 1 -C.sub.6 alkyl groups, C.sub.2 -C.sub.6 alkanoyloxy-C.sub.1 -C.sub.6 alkyl groups, a hydroxyl group, C.sub.1 -C.sub.6 alkyl groups, amino-C.sub.1 -C.sub.6 alkyl groups, C.sub.1 -C.sub.6 alkylamino-C.sub.1 -C.sub.6 alkyl groups, C.sub.1 -C.sub.6 alkoxy groups, C.sub.1 -C.sub.6 alkoxy-C.sub.1 -C.sub.6 alkoxy groups, C.sub.1 -C.sub.6 alkoxy-C.sub.1 -C.sub.6 alkyl groups, a thio group and C.sub.1 -C.sub.6 alkylamido groups; the carbon-carbon bond between the 3- and 4-positions in the carbostyril skeleton being a single bond or a double bond and pharmaceutical compositions containing the compound as the active ingredient.

  碳基喹啉化合物或其盐的化学式为##STR1##其中A为C.sub.1 -C.sub.6烷基链；R.sup.1为C.sub.3 -C.sub.8环烷基-C.sub.1 -C.sub.6烷基链，可能具有以下基团之一作为取代基：C.sub.1 -C.sub.6烷氧羰基，羧基，C.sub.2 -C.sub.6烷酰氧-C.sub.1 -C.sub.6烷基群，氨基-C.sub.1 -C.sub.6烷基群，C.sub.1 -C.sub.6烷基氨基-C.sub.1 -C.sub.6烷基群和羟基-C.sub.1 -C.sub.6烷基群，C.sub.3 -C.sub.8环烷基群，四氢吡喃基-C.sub.1 -C.sub.6烷基群，C.sub.1 -C.sub.3烷二氧基基团取代的C.sub.1 -C.sub.6烷基群，苯基-C.sub.1 -C.sub.6烷基群，在苯环上取代基为1至3个来自C.sub.1 -C.sub.6烷基群和羟基的基团，或者带有C.sub.1 -C.sub.6烷基群作为取代基的哌啶基-C.sub.1 -C.sub.6烷基群；R.sup.2为5-或6-成员饱和或不饱和杂环-C.sub.1 -C.sub.6烷基群，所述杂环选自吡咯啉基、吗啉基、哌啶基、硫代吗啉基、咪唑基、1,2,4-三唑基、呋基、哌嗪基、吡啶基、四氢吡喃基和1,3-氧硫杂环基团，可能具有以下基团之一作为取代基：羟基-C.sub.1 -C.sub.6烷基群，C.sub.2 -C.sub.6烷酰氧-C.sub.1 -C.sub.6烷基群，羟基，C.sub.1 -C.sub.6烷基群，氨基-C.sub.1 -C.sub.6烷基群，C.sub.1 -C.sub.6烷基氨基-C.sub.1 -C.sub.6烷基群，C.sub.1 -C.sub.6烷氧基群，C.sub.1 -C.sub.6烷氧-C.sub.1 -C.sub.6烷氧基群，C.sub.1 -C.sub.6烷氧-C.sub.1 -C.sub.6烷基群，硫基和C.sub.1 -C.sub.6烷基酰胺基团；在碳基喹啉骨架的3-位和4-位之间的碳-碳键为单键或双键，其中药物组合物含有该化合物作为活性成分。