2-chloro-5-nitro-N-(tricyclo[3.3.1.1^3,7]dec-1-ylmethyl)benzamide | 227327-87-9

• 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: 2-chloro-5-nitro-N-(tricyclo[3.3.1.1^3,7]dec-1-ylmethyl)benzamide
• 英文别名: 2-Chloro-5-nitro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide；2-Chloro-5-nitro-N-(tricyclo[3.3.1.13.7]dec-1-ylmethyl)-benzamide；N-Adamantan-1-ylmethyl-2-chloro-5-nitro-benzamide；N-(1-adamantylmethyl)-2-chloro-5-nitrobenzamide
• CAS: 227327-87-9
• 化学式: C₁₈H₂₁ClN₂O₃
• mdl: MFCD03034688
• 分子量: 348.829
• InChiKey: UWUHEGCDMOKCSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-5-nitro-N-(tricyclo[3.3.1.1^3,7]dec-1-ylmethyl)benzamide 在 铁粉 、 氯化铵 作用下， 生成 5-Amino-2-chloro-N-(tricyclo[3.3.1.13.7]dec-1-ylmethyl)-benzamide
  参考文献：
  名称：

  Hit-to-Lead studies: The discovery of potent adamantane amide P2X7 receptor antagonists

  摘要：

  A Hit-to-Lead optimisation programme was carried out on the adamantane high throughput screening hit I resulting in the discovery of a number of potent P2X(7) antagonists. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.034
• 作为产物：
  描述：

  2-氯-5-硝基苯甲酸 、 1-金刚烷甲胺 以to give the title compound as a yellow solid (1.7 g)的产率得到2-chloro-5-nitro-N-(tricyclo[3.3.1.1^3,7]dec-1-ylmethyl)benzamide
  参考文献：
  名称：

  Novel compounds

  摘要：

  本发明提供了金刚烷衍生物、其制备方法、含有它们的药物组合物、制备药物组合物的方法以及它们在治疗中的用途。

  公开号：

  US20010003121A1

文献信息

• Adamantane derivatives
  申请人：AstraZeneca AB

  公开号：US06492355B1

  公开（公告）日：2002-12-10

  The invention provides compounds of general formula in which m, A, R1 and Ar have the meanings defined in the specification; a process for their preparation; pharmaceutical compositions containing them; a process for preparing the pharmaceutical compositions; and their use in therapy.

  这项发明提供了一般式为的化合物 其中m、A、R1和Ar的含义如规范中定义；它们的制备方法；含有它们的药物组合物；制备药物组合物的方法；以及它们在治疗中的用途。
• Novel compounds
  申请人：AstraZeneca UK Limited

  公开号：US20010003121A1

  公开（公告）日：2001-06-07

  The invention provides adamantane derivatives, a process for their preparation, pharmaceutical compositions containing them, a process for preparing the pharmaceutical compositions, and their use in therapy.

  本发明提供了金刚烷衍生物、其制备方法、含有它们的药物组合物、制备药物组合物的方法以及它们在治疗中的用途。
• Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both
  申请人：Kato Fuminori

  公开号：US20070219215A1

  公开（公告）日：2007-09-20

  To provide cytokine production inhibitors useful as preventive or therapeutic medicines for diseases accompanied by hyperactivated immune functions. A cytokine production inhibitor containing, as an active ingredient, a thioamide compound represented by the formula (I) or a salt thereof: wherein A is N, NO, C—NO 2 or C—CN; Hal is a halogen; M 1 is alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, heterocyclyl, amino, O, S, SO or SO 2 ; M 2 is amino, O, S or a single bond; R 1 is a halogen, alkyl or the like; each of R 2 , R 3 , R 4 and R 5 is independently H, alkyl or the like; R 6 is a halogen, alkyl or the like; Cy is cycloalkyl, cycloalkenyl, aryl or heterocyclyl; each of k, p and q is independently an integer of from 0 to 3; and r is an integer of from 0 to 5.

  提供细胞因子产生抑制剂，用作预防或治疗伴随有免疫功能过度活化的疾病的药物。一种包含硫酰胺化合物或其盐的细胞因子产生抑制剂，所述硫酰胺化合物由式（I）表示：其中，A为N、NO、C—NO2或C—CN；Hal为卤素；M1为烷基、烯基、炔基、环烷基、环烯基、芳基、杂环基、氨基、O、S、SO或SO2；M2为氨基、O、S或单键；R1为卤素、烷基或类似物；R2、R3、R4和R5中的每一个独立地为H、烷基或类似物；R6为卤素、烷基或类似物；Cy为环烷基、环烯基、芳基或杂环基；k、p和q中的每一个独立地为0到3的整数；r为0到5的整数。
• Compounds
  申请人：AstraZeneca AB

  公开号：US06303659B2

  公开（公告）日：2001-10-16

  The invention provides adamantane derivatives, a process for their preparation, pharmaceutical compositions containing them, a process for preparing the pharmaceutical compositions, and their use in therapy.

  本发明提供了金刚烷衍生物，其制备方法，包含它们的药物组合物，制备药物组合物的方法以及它们在治疗中的用途。
• Hit-to-Lead studies: The discovery of potent adamantane amide P2X7 receptor antagonists
  作者：Andrew Baxter、Janice Bent、Keith Bowers、Martin Braddock、Steve Brough、Malbinder Fagura、Mandy Lawson、Tom McInally、Mike Mortimore、Mark Robertson、Richard Weaver、Peter Webborn

  DOI：10.1016/j.bmcl.2003.08.034

  日期：2003.11

  A Hit-to-Lead optimisation programme was carried out on the adamantane high throughput screening hit I resulting in the discovery of a number of potent P2X(7) antagonists. (C) 2003 Elsevier Ltd. All rights reserved.