2-nitro-4-phenoxybenzoic acid | 515878-81-6

• 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-nitro-4-phenoxybenzoic acid
• CAS: 515878-81-6
• 化学式: C₁₃H₉NO₅
• mdl: MFCD26309184
• 分子量: 259.218
• InChiKey: MVPDJAHSIUBZLP-UHFFFAOYSA-N

物化性质

• 沸点：
  418.8±40.0 °C(Predicted)
• 密度：
  1.405±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-nitro-4-phenoxybenzoic acid 在 草酰氯 、 DIEA resin 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-[3-Methoxy-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-2-nitro-4-phenoxy-benzamide
  参考文献：
  名称：

  Discovery of potent and stable conformationally constrained analogues of the MCH R1 antagonist SB-568849

  摘要：

  A strategy of systematically targeting more rigid analogues of the known MCH R1 receptor antagonist, SB-568849, serendipitously uncovered a binding mode accessible to N-aryl-phthalimide ligands. Optimisation to improve the stability of this compound class led to the discovery of novel N-aryl-quinazolinones, benzotriazinones and thienopyrimidinones as selective ligands with good,affinity for human melanin-concentrating hormone receptor 1. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.061
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-nitro-4-phenoxybenzoic acid
  参考文献：
  名称：

  Discovery of potent and stable conformationally constrained analogues of the MCH R1 antagonist SB-568849

  摘要：

  A strategy of systematically targeting more rigid analogues of the known MCH R1 receptor antagonist, SB-568849, serendipitously uncovered a binding mode accessible to N-aryl-phthalimide ligands. Optimisation to improve the stability of this compound class led to the discovery of novel N-aryl-quinazolinones, benzotriazinones and thienopyrimidinones as selective ligands with good,affinity for human melanin-concentrating hormone receptor 1. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.061

文献信息

• Lactam derivatives as antagonists for human 11cby receptors
  申请人：Armstrong Anne Sula

  公开号：US20050059651A1

  公开（公告）日：2005-03-17

  The invention provides compounds of formula (I) a salt, or solvate thereof.

  该发明提供了式(I)的化合物，其盐或溶剂。
• NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF
  申请人：Yokotani Junichi

  公开号：US20090240052A1

  公开（公告）日：2009-09-24

  An anthranilic acid derivative represented by the general formula (X) [wherein R 1 represents hydrogen or a carboxy-protecting group; R 2 represents optionally substituted phenyl, a heterocyclic group, etc.; R 3 represents optionally substituted phenyl, a monocyclic heterocyclic group, etc.; X 1 represents carbonyl, etc.; X 2 represents optionally substituted alkylene group, a bond, etc.; X 3 represents oxygen, a bond, etc.; and X 4 represents a group represented by the general formula -X 5 -X 6 - or -X 6 -X 5 - (wherein X 5 means oxygen, a bond, etc.; and X 6 means optionally substituted alkylene, a bond, etc.)] or a salt of the derivative. The derivative or salt has the inhibitory activity of MMP- 13 production and is hence useful as a therapeutic agent for articular rheumatism, osteoarthritis, cancer, etc.

  一种由通式（X）表示的蒽酸衍生物[其中R1表示氢或羧基保护基；R2表示可选取代的苯基，杂环基等；R3表示可选取代的苯基，单环杂环基等；X1表示羰基等；X2表示可选取代的烷基，键等；X3表示氧原子，键等；X4表示由通式-X5-X6-或-X6-X5-表示的基团（其中X5表示氧原子，键等；X6表示可选取代的烷基，键等）]或其盐。该衍生物或盐具有MMP-13的抑制活性，因此可用作关节风湿病，骨关节炎，癌症等的治疗剂。
• Novel Lactam Derivatives
  申请人：Armstrong Anne Sula

  公开号：US20060287321A1

  公开（公告）日：2006-12-21

  The invention thus provides compounds of formula (I) a salt, or solvate thereof.

  该发明因此提供了公式(I)的化合物，其盐或溶剂。
• Anthranilic acid derivative or salt thereof
  申请人：Toyama Chemical Co., Ltd.

  公开号：US07999132B2

  公开（公告）日：2011-08-16

  An anthranilic acid derivative represented by the general formula (X) [wherein R1 represents hydrogen or a carboxy-protecting group; R2 represents optionally substituted phenyl, a heterocyclic group, etc.; R3 represents optionally substituted phenyl, a monocyclic heterocyclic group, etc.; X1 represents carbonyl, etc.; X2 represents optionally substituted alkylene group, a bond, etc.; X3 represents oxygen, a bond, etc.; and X4 represents a group represented by the general formula —X5—X6— or —X6—X5— (wherein X5 means oxygen, a bond, etc.; and X6 means optionally substituted alkylene, a bond, etc.)] or a salt of the derivative. The derivative or salt has the inhibitory activity of MMP-13 production and is hence useful as a therapeutic agent for articular rheumatism, osteoarthritis, cancer, etc.

  一种由通式（X）表示的蒽酸衍生物[其中R1表示氢原子或羧基保护基；R2表示可选取代的苯基，杂环基等；R3表示可选取代的苯基，单环杂环基等；X1表示羰基等；X2表示可选取代的烷基，键等；X3表示氧原子，键等；X4表示由通式-X5-X6-或-X6-X5-表示的基团（其中X5表示氧原子，键等；X6表示可选取代的烷基，键等）]或其盐。该衍生物或盐具有MMP-13生产的抑制活性，因此可用作治疗关节风湿病、骨关节炎、癌症等的治疗剂。
• EP1820795
  申请人：——

  公开号：——

  公开（公告）日：——