methyl 5-amino-2-phenoxybenzoate | 346704-91-4

• 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: methyl 5-amino-2-phenoxybenzoate
• CAS: 346704-91-4
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: MHAZEXGQGPSXRT-UHFFFAOYSA-N

物化性质

• 沸点：
  391.4±32.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 5-amino-2-phenoxybenzoate 在 锂硼氢 、 氯化亚砜 、 碳酸氢钠 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 10.17h， 生成 3-[3-(chloromethyl)-4-phenoxyphenyl]-1-(3-methylphenyl) urea
  参考文献：
  名称：

  [EN] TRIAZINE DERIVATIVES FOR TREATING DISEASES RELATING TO NEUROTROPHINS
  [FR] DÉRIVÉS TRIAZINE POUR LE TRAITEMENT DE MALADIES ASSOCIÉES À DES NEUROTROPHINES

  摘要：

  提供了一个式I的化合物，其中R1和R2如本文所定义，这些化合物在治疗由神经营养因子和/或其他营养因子信号传导受损引起的疾病中很有用，如阿尔茨海默病等。

  公开号：

  WO2021038241A1
• 作为产物：
  描述：

  苯酚 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 methyl 5-amino-2-phenoxybenzoate
  参考文献：
  名称：

  Pyrrolopyrimidine-inhibitors with hydantoin moiety as spacer can explore P4/S4 interaction on plasmin

  摘要：

  In the development of plasmin inhibitors, a novel chemotype, pyrrolopyrimidine scaffold possessing two motifs, a hydantoin-containing P4 moiety and a warhead-containing P1 moiety, is uncovered. A unique feature of the new line of the plasmin inhibitors is that the interaction between the plasmin inhibitors and key subsites in plasmin can be controlled by a spacer like hydantoin. The application of the novel chemotype is demonstrated by 1n and provides further evidence on the importance of hydantoin as the spacer. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.002

文献信息

• Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cytovia, Inc.

  公开号：US20030013743A1

  公开（公告）日：2003-01-16

  The present invention is directed to substituted N′-(arylcarbonyl)-benzhydrazides, N′-(arylcarbonyl)-benzylidene-hydrazides and analogs thereof, represented by the Formulae I and II: 1 wherein Ar 1 , Ar 2 , and R 1 -R 2 are defined herein. The present invention also relates to the discovery that compounds having Formulae I and II are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及取代N′-(芳基甲酰基)-苯基肼、N′-(芳基甲酰基)-苄基亚胺和类似物，其由下式I和II表示：其中Ar1、Ar2和R1-R2在此定义。本发明还涉及发现具有式I和II的化合物是caspase激活剂和凋亡诱导剂。因此，本发明的caspase激活剂和凋亡诱导剂可用于诱导各种临床病况中发生细胞死亡的情况，其中异常细胞的无序生长和扩散。
• Amidine derivatives which are inhibitors of nitric oxide synthase
  申请人：——

  公开号：US20020137750A1

  公开（公告）日：2002-09-26

  There are provided novel compounds of formula (I) 1 wherein R 1 , R 2 , X, Y and Z are as defined in the Specification and optical isomers, racemates and tautomers thereof and pharmaceutically acceptable salts thereof; tocether with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme nitric oxide synthase.

  提供了式(I)1的新化合物，其中R1、R2、X、Y和Z如规范中定义，并其光学异构体、消旋体和互变异构体以及其药学上可接受的盐；以及它们的制备过程、含有它们的组合物以及它们在治疗中的应用。这些化合物是一氧化氮合酶的抑制剂。
• Novel compounds
  申请人：——

  公开号：US20020137736A1

  公开（公告）日：2002-09-26

  There are provided novel compounds of formula (I) 1 wherein R 1 , R 2 , R 3 , X and Z are as defined in the Specification and optical isomers, racemates and tautomers thereof and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme nitric oxide synthase.

  提供了一种化合物，其化学式为（I）1，其中R1、R2、R3、X和Z的定义如规范中所述，以及其光学异构体、消旋体和互变异构体，以及其药用可接受的盐；以及它们的制备过程、含有它们的组合物和它们在治疗中的用途。这些化合物是一氧化氮合酶的抑制剂。
• Benzine derivatives, process for preparing the same and use thereof
  申请人：——

  公开号：US20040259912A1

  公开（公告）日：2004-12-23

  Novel benzene derivatives represented by the formula (I): 1 wherein R 1 , R 4 and R 6 each independently represents a hydrogen atom, a halogen atom or a hydrocarbon group, R 2 represents a hydrocarbon group or a heterocyclic group, R 3 represents a hydrocarbon group, NR 7′ R 7 or OR 8 (wherein R 7′ represents a hydrogen atom or a hydrocarbon group, R 7 represents a non-aromatic group, or R 7′ and R 7 may form a ring with the adjacent nitrogen atom, and R 8 represents a hydrocarbon group or a heterocyclic group), R 5 represents a hydrocarbon group or a heterocyclic group (except for a quinolyl group), R 5′ represents a hydrogen atom, or a hydrocarbon group, or R 5 and R 5′ may form a ring with the adjacent nitrogen atom, and R 5″ represents a hydrogen atom or a hydrocarbon group, which have vanilloid receptor agonist activity and are useful as a drug such as an analgesic and an agent for preventing and/or treating urinary frequency and/or urinary incontinence.

  式(I)所表示的新型苯衍生物，其中R1、R4和R6各自独立地表示氢原子、卤素原子或烃基，R2表示烃基或杂环基，R3表示烃基、NR7′R7或OR8（其中R7′表示氢原子或烃基，R7表示非芳香族基团，或R7′和R7可与相邻的氮原子形成环，R8表示烃基或杂环基），R5表示烃基或杂环基（除了喹啉基团），R5′表示氢原子或烃基，或R5和R5′可与相邻的氮原子形成环，R5″表示氢原子或烃基，具有vanilloid受体激动剂活性，并且可用作药物，例如镇痛剂和预防和/或治疗尿频和/或尿失禁的药剂。
• INSECTICIDAL COMPOUNDS
  申请人：Maienfisch Peter

  公开号：US20100048715A1

  公开（公告）日：2010-02-25

  A compound of formula (I), wherein A 1 , A 2, A 3 , A 4, R 1 , R 2 , G 1 , G 2 , Q 1 and Q 2 are as defined in claim 1 ; or salts or N-oxides thereof. Furthermore, the present invention relates to processes and intermediates for preparing compounds of formula (I), to insecticidal, acaricidal, molluscicidal and nematicidal compositions comprising them and to methods of using them to combat and control insect, acarine, mollusc and nematode pests.

  公式（I）的化合物，其中A1，A2，A3，A4，R1，R2，G1，G2，Q1和Q2如权利要求1中所定义；或其盐或N-氧化物。此外，本发明涉及制备公式（I）化合物的过程和中间体，涉及含有它们的杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂组合物，以及使用它们来对抗和控制昆虫、螨虫、软体动物和线虫害的方法。