1-Methyl-3-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-one hydrochloride | 2147-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-Methyl-3-piperidin-4-yl-1,3-dihydro-benzoimidazol-2-one hydrochloride
• 英文别名: 1-Methyl-3-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride；1-methyl-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
• CAS: 2147-85-5
• 化学式: C₁₃H₁₇N₃O*ClH
• 分子量: 267.758
• InChiKey: REYXMOCQVHYUQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.69
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.6
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• [EN] CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS<br/>[FR] DÉRIVÉS D'AMIDES CYCLIQUES ET LEUR PRODUCTION ET UTILISATION COMME AGENTS ANTITHROMBOTIQUES
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005113504A1

  公开（公告）日：2005-12-01

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y1 represents -C(O)-, -S(O)- or -S(O)2-, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X2 represents a bond or an optionally substituted lower alkylene, Y2 represents -C(O)-, -S(O)-, -S(O)2- or -C(=NR7)-, X3 represents an optionally substituted C1-4 alkylene or an optionally substituted C2-4 alkenylene, Z3 represents -N(R4)-, -O- or a bond, Z1 represents -C(R2)(R2')-, -N(R2)-, etc., and Z2 represents -C(R3)(R3')-, -N(R3)-, etc., or a salt thereof.

  本发明提供了一种环酰胺衍生物，可用作治疗血栓症的药物，其化学式为（I）：其中R1代表一个可选择取代的环烃基或一个可选择取代的杂环基，W代表一个键或一个可选择取代的双价链烃基，a代表0、1或2，X1代表一个可选择取代的较低碳烷基或一个可选择取代的较低烯烃基，Y1代表-C（O）-、-S（O）-或-S（O）2-，A代表可能进一步取代的哌嗪环或可能进一步取代的哌啶环，X2代表一个键或一个可选择取代的较低碳烷基，Y2代表-C（O）-、-S（O）-、-S（O）2-或-C（=NR7）-，X3代表一个可选择取代的C1-4烷基或一个可选择取代的C2-4烯烃基，Z3代表-N（R4）-、-O-或一个键，Z1代表-C（R2）（R2'）-、-N（R2）-等，Z2代表-C（R3）（R3'）-、-N（R3）-等，或其盐。
• Compounds Useful In Therapy
  申请人：Bryans Justin Stephen

  公开号：US20080188478A1

  公开（公告）日：2008-08-07

  Compounds of formula (I), or pharmaceutically acceptable derivatives thereof, wherein: R 1 represents a group selected from H, CF 3 , and C 1-6 alkyl (optionally substituted by C 1-6 alkyloxy or triazolyl); R 2 represents halo; Ring A represents a 5- or 6-membered heterocyclic ring containing at least one N atom (the ring being optionally bridged with two or more carbon atoms); R 3 represents a 5- or 6-membered heterocyclic ring containing at least one atom selected from N, O or S, the heterocyclic ring being optionally substituted by one or more groups selected from C 1-6 alkyl oxo or NH 2 , the heterocyclic ring being further optionally fused to a 5- or 6-membered aryl or heterocyclic ring containing at least one atom selected from N, O or S, the fused aryl or heterocyclic ring being substituted by one or more halo atoms; are useful for treating a disorder for which a V1a antagonist is indicated, in particular, dysmenorrhea.

  式(I)的化合物或其药学上可接受的衍生物，其中： R1表示从H，CF3和C1-6烷基（可选地被C1-6烷氧基或三唑基取代）中选择的基团； R2表示卤素； 环A表示含有至少一个N原子的5-或6成员杂环，（该环可与两个或更多个碳原子桥接）； R3表示含有至少一个从N，O或S中选择的原子的5-或6成员杂环，该杂环可被选自C1-6烷基氧或NH2的一个或多个基团取代，该杂环进一步可融合到一个含有至少一个从N，O或S中选择的原子的5-或6成员芳香族或杂环中，该融合的芳香族或杂环被一个或多个卤素原子取代； 用于治疗需要V1a拮抗剂的疾病，特别是痛经。
• Cyclic Amide Derivative, and Its Production and Use
  申请人：Kubo Keiji

  公开号：US20070244118A1

  公开（公告）日：2007-10-18

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I)-: wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.

  本发明提供了一种环酰胺衍生物，用作治疗血栓的药物，其化学式表示为(I)-:其中R1表示可选取代的环烃基或可选取代的杂环基，W表示键或可选取代的二价链烃基，a表示0、1或2，X1表示可选取代的较低烷基或可选取代的较低烯基，Y1表示—C(O)—、—S(O)—或—S(O)2—，A表示可进一步取代的哌嗪环或可进一步取代的哌啶环，X2表示键或可选取代的较低烷基，Y2表示—C(O)—、—S(O)—、—S(O)2—或—C(═NR7)—，X3表示可选取代的C1-4烷基或可选取代的C2-4烯基，Z3表示—N(R4)—、—O—或键，Z1表示—C(R2)(R2′)—、—N(R2)—等，Z2表示—C(R3)(R3′)—、—N(R3)—等，或其盐。
• Cyclic amide derivative, and its production and use
  申请人：Kubo Keiji

  公开号：US20080255352A1

  公开（公告）日：2008-10-16

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.

  本发明提供了一种用于治疗血栓症的环酰胺衍生物，其化学式表示为(I)：其中，R1代表可选取代的环烃基或可选取代的杂环基，W代表键或可选取代的双价链烃基，a代表0、1或2，X1代表可选取代的较低烷基烯基或可选取代的较低烷基，Y1代表—C（O）—、—S（O）—或—S（O）2—，A代表可进一步取代的哌嗪环或可进一步取代的吡啶环，X2代表键或可选取代的较低烷基，Y2代表—C（O）—、—S（O）—、—S（O）2—或—C（═NR7）—，X3代表可选取代的C1-4烷基或可选取代的C2-4烯基，Z3代表—N（R4）—、—O—或键，Z1代表—C（R2）（R2′）—、—N（R2）—等，Z2代表—C（R3）（R3′）—、—N（R3）—等，或其盐。
• CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE
  申请人：KUBO Keiji

  公开号：US20100160629A1

  公开（公告）日：2010-06-24

  The present invention provides a cyclic amide derivative useful as a drug for treating thrombosis, which is represented by the formula (I): wherein R 1 represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent chain hydrocarbon group, a represents 0, 1, or 2, X 1 represents an optionally substituted lower alkylene or an optionally substituted lower alkenylene, Y 1 represents —C(O)—, —S(O)— or —S(O) 2 —, A represents a piperazine ring which may be further substituted or a piperidine ring which may be further substituted, X 2 represents a bond or an optionally substituted lower alkylene, Y 2 represents —C(O)—, —S(O)—, —S(O) 2 — or —C(═NR 7 )—, X 3 represents an optionally substituted C 1-4 alkylene or an optionally substituted C 2-4 alkenylene, Z 3 represents —N(R 4 )—, —O— or a bond, Z 1 represents —C(R 2 )(R 2′ )—, —N(R 2 )—, etc., and Z 2 represents —C(R 3 )(R 3′ )—, —N(R 3 )—, etc., or a salt thereof.

  本发明提供了一种环酰胺衍生物，可用作治疗血栓症的药物，其化学式为(I)，其中R1代表可选取代的环烃基或可选取代的杂环基，W代表键或可选取代的二价链烃基，a代表0、1或2，X1代表可选取代的较低烷基或可选取代的较低烯基，Y1代表—C(O)—、—S(O)—或—S(O)2—，A代表可能进一步取代的哌嗪环或可能进一步取代的哌啶环，X2代表键或可选取代的较低烷基，Y2代表—C(O)—、—S(O)—、—S(O)2—或—C(═NR7)—，X3代表可选取代的C1-4烷基或可选取代的C2-4烯基，Z3代表—N(R4)—、—O—或键，Z1代表—C(R2)(R2′)—、—N(R2)—等，Z2代表—C(R3)(R3′)—、—N(R3)—等，或其盐。