trans-4-[(dimethylamino)carbonyl]-cyclohexanecarboxylic acid | 873458-57-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trans-4-[(dimethylamino)carbonyl]-cyclohexanecarboxylic acid
• 英文别名: 4-(Dimethylcarbamoyl)cyclohexane-1-carboxylic acid
• CAS: 873458-57-2
• 化学式: C₁₀H₁₇NO₃
• mdl: MFCD18887124
• 分子量: 199.25
• InChiKey: LZSWPZWDUZTSDZ-UHFFFAOYSA-N

物化性质

• 沸点：
  372.3±31.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 4-(dimethylcarbamoyl)cyclohexane-1-carboxylate 在 甲醇 、 sodium hydroxide 、 水 、 盐酸 作用下， 以 水 为溶剂， 反应 18.0h， 生成 trans-4-[(dimethylamino)carbonyl]-cyclohexanecarboxylic acid
  参考文献：
  名称：

  EP1666478

  摘要：

  公开号：

文献信息

• [EN] PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME<br/>[FR] COMPOSÉ DE PIPÉRIDINE ET PROCÉDÉ DE PRÉPARATION DE CE COMPOSÉ
  申请人：TANABE SEIYAKU CO

  公开号：WO2006004195A1

  公开（公告）日：2006-01-12

  The present invention is to provide a piperidine compound represented by the formula [I]: wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted benzene ring, R1 is hydrogen atom or a substituent for amino group, R2 is hydrogen atom, an optionally substituted hydroxyl group, an optionally substituted amino group, an optionally substituted alkyl group, a substituted carbonyl group or a halogen atom, Z is oxygen atom or -N (R3)-, R3 is hydrogen atom or an optionally substituted alkyl group, R4a and R4b may be the same or different, and each is hydrogen atom or an optionally substituted alkyl group, or may be bonded to each other at the both ends to form an alkylene group, or a pharmaceutically acceptable salt thereof, which has an excellent tachykinin receptor antagonistic action.

  本发明提供的是一种由式[I]表示的哌啶化合物，其中环A是一个可选择取代的苯环，环B是一个可选择取代的苯环，R1是氢原子或氨基的取代基，R2是氢原子、一个可选择取代的羟基、一个可选择取代的氨基、一个可选择取代的烷基、一个取代的羰基或卤原子，Z是氧原子或-N(R3)-，R3是氢原子或一个可选择取代的烷基，R4a和R4b可以相同也可以不同，每个都是氢原子或一个可选择取代的烷基，或者可以在两端结合在一起形成一个烷基链，或其药学上可接受的盐，具有优异的催吐肽受体拮抗作用。
• Fused furan compound
  申请人：Kawaguchi Takayuki

  公开号：US20060094724A1

  公开（公告）日：2006-05-04

  The present invention provides a condensed furan compound of the formula (I): wherein Ring X is benzene, pyridine, or the like; Y is an optionally substituted amino, an optionally substituted cycloalkyl, an optionally substituted aryl, an optionally substituted saturated heterocyclic group, an optionally substituted unsaturated heterocyclic group; A is a single bond, lower alkylene, lower alkenylidene, lower alkenylene or an oxygen atom; R 3 is hydrogen or the like; and, R 4 is hydrogen, or the like, or pharmaceutically acceptable salts thereof, which is useful as a medicament, particularly, as an activated blood coagulation factor X inhibitor.

  本发明提供了式(I)的紧凑呋喃化合物：其中环X是苯、吡啶或类似物；Y是可选取代的氨基、可选取代的环烷基、可选取代的芳基、可选取代的饱和杂环基、可选取代的不饱和杂环基；A是单键、低级烷基、低级烯基亚烷基、低级烯基亚烯基或氧原子；R3是氢或类似物；R4是氢或类似物，或其药学上可接受的盐，其用作药物，特别是作为激活的血凝血酶X抑制剂。
• Piperidine Compound and Process for Preparing the Same
  申请人：Miyake Tsutomu

  公开号：US20090005355A1

  公开（公告）日：2009-01-01

  The present invention is to provide a piperidine compound represented by the formula [I]: wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted benzene ring, R 1 is hydrogen atom or a substituent for amino group, R 2 is hydrogen atom, an optionally substituted hydroxyl group, an optionally substituted amino group, an optionally substituted alkyl group, a substituted carbonyl group or a halogen atom, Z is oxygen atom or —N(R 3 )—, R 3 is hydrogen atom or an optionally substituted alkyl group, R 4a and R 4b may be the same or different, and each is hydrogen atom or an optionally substituted alkyl group, or may be bonded to each other at the both ends to form an alkylene group, or a pharmaceutically acceptable salt thereof, which has an excellent tachykinin receptor antagonistic action.

  本发明提供了一种由式[I]表示的哌啶化合物，其中环A是可选取代的苯环，环B是可选取代的苯环，R1是氢原子或氨基基团的取代基，R2是氢原子、可选取代的羟基、可选取代的氨基、可选取代的烷基、取代的羰基或卤素原子，Z是氧原子或-N（R3）-，R3是氢原子或可选取代的烷基，R4a和R4b可以相同也可以不同，每个是氢原子或可选取代的烷基，或者可以在两端结合形成烷基，或其药学上可接受的盐，具有优异的Tachykinin受体拮抗作用。
• Carbamoyl-type benzofuran derivatives
  申请人：Kawaguchi Takayuki

  公开号：US20060247273A1

  公开（公告）日：2006-11-02

  The present invention provides a carbamoyl-type benzofuran derivative of the formula [1]: wherein Ring Z is a group of the formula: etc.; A is a single bond, and the like; Y is a cycloalkanediyl group, etc.; R 4 and R 5 are the same or different and each is an optionally substituted lower alkyl group, etc.; R 1 is a halogen atom, etc.; Ring B of the formula: is an optionally substituted benzene ring; and R 3 is a hydrogen atom. etc., or a pharmaceutically acceptable salt thereof, which is useful as an FXa inhibitor.

  本发明提供了一种公式[1]的氨基甲酰基苯并呋喃衍生物： 其中，环Z是公式等的一组；A是单键等；Y是环烷基二基等；R4和R5相同或不同，每个是可选取的低取代基等；R1是卤素原子等；环B是可选取的苯环；R3是氢原子等；或其药学上可接受的盐，作为FXa抑制剂具有用处。
• Amide type carboxamide derivative
  申请人：Kawaguchi Takayuki

  公开号：US20060287329A1

  公开（公告）日：2006-12-21

  The present invention provides an amide-type carboxamide derivative of the formula [1]: wherein X is a group of the formula: —N═ or the formula: —CH═; R 1 is a halogen atom, a lower alkyl group, and the like; R 2 is a group of the formula: and the like; Y 1 and Y 2 are the same or different and each is a group selected from a halogen atom, a lower alkyl group, a lower alkoxy group, and the like; Ring A is phenyl group, and the like, or a pharmaceutically acceptable salt thereof, which is useful as an inhibitor of FXa.

  本发明提供了一种式[1]的酰胺型羧酰胺衍生物，其中X是式：—N═或式：—CH═的基团；R1是卤素原子、低烷基等；R2是式：及类似基团；Y1和Y2相同或不同，每个都是从卤素原子、低烷基、低烷氧基等中选择的基团；环A是苯基等，或其药学上可接受的盐，可用作FXa抑制剂。