N1-(1H-5-Indazolyl)-2-(benzylamino)-acetamide

• 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: N1-(1H-5-Indazolyl)-2-(benzylamino)-acetamide
• 英文别名: N2-benzyl-N1-(1H-indazol-5-yl)glycinamide；N1-(1H-5-Indazolyl)-2-(benzylamino)acetamide；2-(benzylamino)-N-(1H-indazol-5-yl)acetamide
• 化学式: C₁₆H₁₆N₄O
• 分子量: 280.329
• InChiKey: HFZIWHRJALLAKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.8
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N1-(1H-5-Indazolyl)-2-(benzylamino)-acetamide 、 碳酸氢钠 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 以43%的产率得到N1-Benzyl-N2-(1H-5-indazolyl)-1,2-ethane-diamine
  参考文献：
  名称：

  NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME

  摘要：

  公开号：

  EP1256574B1

文献信息

• Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same
  申请人：——

  公开号：US20040102437A1

  公开（公告）日：2004-05-27

  Compounds having an Rho kinase inhibitory activity. These compounds include the compound of general formula (I): Het-X-Z, pharmaceutically acceptable salts thereof and solvates of the same, wherein Het represents a monocyclic or dicyclic heterocycle group containing at least one nitrogen atom (for example, pyridyl, phthalimido); X represents (i) an —NH—C(═O)—NH-Q1- group, (ii) an —NH—C(═O)-Q2- group, etc. (wherein Q1 and Q2 represent each a bond, alkylene or alkenylene); and Z represents hydrogen, halogeno, a monocyclic, dicyclic ortricyclic carbon cycle or heterocycle, etc. (for example, optionally substituted phenyl).

  具有Rho激酶抑制活性的化合物。这些化合物包括通式（I）的化合物：Het-X-Z，其药学上可接受的盐和溶剂化物，其中Het表示含有至少一个氮原子的单环或双环杂环基团（例如吡啶基，邻苯二甲酰亚胺基）；X表示（i）一个—NH—C(═O)—NH-Q1-基团，（ii）一个—NH—C(═O)-Q2-基团等（其中Q1和Q2分别表示键，烷基或烯基）；Z表示氢，卤素，单环，双环或三环碳环或杂环等（例如可选取代苯基）。
• Rho kinase inhibitors
  申请人：——

  公开号：US20040138286A1

  公开（公告）日：2004-07-15

  A compound represented by the formula (1): 1 wherein R 1 —X— indicates that 1 to 4 R 1 —X— groups are present which may be the same or different, the ring A is a saturated or unsaturated 5-membered heterocyclic ring, X is a single bond, a group represented by the formula: —N(R 3 )—, —O— or —S—, or the like. R 1 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, R 2 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, and R 3 is a hydrogen atom, a substituted or unsubstituted alkyl group, or the like; a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is a useful compound as a therapeutic agent for diseases for which Rho kinase is responsible.

  化合物的化学式为（1）：1，其中R1—X—表示存在1到4个R1—X—基团，可以相同也可以不同，环A是饱和或不饱和的5元杂环，X是单键，一个由式子表示的基团：—N（R3）—，—O—或—S—等。R1是氢原子，卤素原子，硝基，羧基，取代或未取代的烷基或类似物，R2是氢原子，卤素原子，硝基，羧基，取代或未取代的烷基或类似物，R3是氢原子，取代或未取代的烷基或类似物；该化合物的前药或药物可接受的盐是治疗Rho激酶相关疾病的有用化合物。
• Rho KINASE INHIBITORS
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1403255A1

  公开（公告）日：2004-03-31

  A compound represented by the formula (1): wherein R1-X- indicates that 1 to 4 R1-X- groups are present which may be the same or different,    the ring A is a saturated or unsaturated 5-membered heterocyclic ring,    X is a single bond, a group represented by the formula: -N(R3)-, -O- or -S-, or the like.    R1 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like,    R2 is a hydrogen atom, a halogen atom, a nitro group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, and    R3 is a hydrogen atom, a substituted or unsubstituted alkyl group, or the like; a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is a useful compound as a therapeutic agent for diseases for which Rho kinase is responsible.

  由式（1）代表的化合物： 其中 R1-X- 表示存在 1 至 4 个 R1-X- 基团，这些基团可以相同或不同、 环 A 是饱和或不饱和的五元杂环、 X 是单键、由式子表示的基团：-N(R3)-、-O- 或 -S- 或类似的基团。 R1 是氢原子、卤素原子、硝基、羧基、取代或未取代的烷基或类似基团、 R2 是氢原子、卤素原子、硝基、羧基、取代或未取代的烷基或类似物，以及 R3 是氢原子、取代或未取代的烷基或类似物； 所述化合物的原药或所述化合物或原药的药学上可接受的盐是一种有用的化合物，可作为治疗 Rho 激酶引起的疾病的药物。
• US7199147B2
  申请人：——

  公开号：US7199147B2

  公开（公告）日：2007-04-03
• US7217722B2
  申请人：——

  公开号：US7217722B2

  公开（公告）日：2007-05-15