2-溴-2-(2-甲氧基苯基)乙酸甲酯 | 99552-78-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-溴-2-(2-甲氧基苯基)乙酸甲酯
• 英文名称: methyl 2-bromo-2-(2-methoxyphenyl)acetate
• CAS: 99552-78-0
• 化学式: C₁₀H₁₁BrO₃
• 分子量: 259.1
• InChiKey: UBXWFYGCGHBNAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  3265
• 危险性描述：
  H314

反应信息

• 作为反应物：
  描述：

  2-溴-2-(2-甲氧基苯基)乙酸甲酯 在 sodium tetrahydroborate 、 silver(l) oxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 2-(2-甲氧基苯基)-2-((四氢-2H-吡喃-4-基)氧基)乙-1-醇
  参考文献：
  名称：

  EP3805230

  摘要：

  公开号：
• 作为产物：
  描述：

  (2-甲氧基苯基)乙醇酸 在 二溴亚砜 、 硫酸 作用下， 以 甲苯 为溶剂， 生成 2-溴-2-(2-甲氧基苯基)乙酸甲酯
  参考文献：
  名称：

  Selective ET_A Antagonists. 5. Discovery and Structure−Activity Relationships of Phenoxyphenylacetic Acid Derivatives

  摘要：

  The fifth paper in this series describes the culmination of our investigations into the development of a potent and selective ETA receptor antagonist for the treatment of diseases mediated by ET-1. Receptor site mapping of several ETA antagonists prepared previously identified a common cationic binding site which prompted synthesis of phenoxyphenylacetic acid derivative 13a, which showed good in vitro activity (IC50 59 nM, rat aortic ETA). Optimization of 13a led to the identification of 27b, which exhibited an IC50 of 4 nM. Although this did not translate into the expected in vivo potency, a compound of comparable in vitro activity, 27a (RPR118031A), showed a far better pharmacokinetic profile and in vivo potency (75 mu mol/kg) and was duly proposed and accepted as a development candidate.

  DOI：

  10.1021/jm990378b

文献信息

• [EN] PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST<br/>[FR] DÉRIVÉS DE PYRAZOLOTRIAZOLOPYRIMIDINE EN TANT QU'ANTAGONISTE DU RÉCEPTEUR A2A
  申请人：BEIGENE LTD

  公开号：WO2020020097A1

  公开（公告）日：2020-01-30

  Disclosed herein is a pyrazolotriazolopyrimidine derivative or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof useful as A2A receptor antagonist, and a pharmaceutical composition comprising the same. Also disclosed herein is a method of treating cancer using the pyrazolotriazolopyrimidine derivative or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof as A2A receptor antagonist.

  本文揭示了一种吡唑三唑吡嘧啶衍生物或其立体异构体，或其药学上可接受的盐，可用作A2A受体拮抗剂，以及包含该物质的药物组合物。本文还揭示了一种使用该吡唑三唑吡嘧啶衍生物或其立体异构体，或其药学上可接受的盐作为A2A受体拮抗剂治疗癌症的方法。
• Diastereo- and Enantioselective Synthesis of Quaternary α-Amino Acid Precursors by Copper-Catalyzed Propargylation
  作者：Qiongqiong Zhu、Beibei Meng、Congzheng Gu、Ye Xu、Jie Chen、Chuanhu Lei、Xiaoyu Wu

  DOI：10.1021/acs.orglett.9b03894

  日期：2019.12.20

  A diastereo- and enantioselective propargylic substitution reaction between propargylic carbonates and α-substituted nitroacetates catalyzed by a Cu-pybox complex is described. This method allows the preparation of a series of non-proteinogenic quaternary α-amino acid precursors featuring two contiguous stereogenic centers and a terminal alkyne moiety in high yields with good to excellent diastereo-

  描述了由Cu-pybox配合物催化的炔丙基碳酸酯和α-取代的硝基乙酸酯之间的非对映和对映选择性炔丙基取代反应。该方法允许以高产率制备一系列具有两个连续的立体生成中心和一个末端炔烃部分的非蛋白源性季α-氨基酸前体，在大多数情况下具有良好的至优异的非对映选择性和对映选择性。炔丙基化的加合物被精制成各种不同的季α-氨基酸衍生物。
• Dual NK1 antagonists—serotonin reuptake inhibitors as potential antidepressants. Part 2: SAR and activity of benzyloxyphenethyl piperazine derivatives
  作者：Thomas Ryckmans、Olivier Berton、Renée Grimée、Thierry Kogej、Yves Lamberty、Patrick Pasau、Patrice Talaga、Christophe Genicot

  DOI：10.1016/s0960-894x(02)00563-2

  日期：2002.11

  piperazine derivatives combining NK(1) antagonism and serotonin reuptake inhibition is described. Compound 7u was shown to be active in animal models of 5-HT reuptake inhibition and central NK(1) receptor blockade, and was demonstrated to be orally active in an integrated model sensitive to both mechanisms. This class of compounds potentially represents a new generation of antidepressants.

  描述了结合NK（1）拮抗作用和5-羟色胺再摄取抑制作用的苄氧基苯乙基哌嗪衍生物的合成，结构亲和关系和活性。化合物7u在抑制5-HT再摄取和中枢NK（1）受体的动物模型中显示出活性，并在对两种机制均敏感的综合模型中显示出口服活性。这类化合物可能代表了新一代的抗抑郁药。
• NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME
  申请人：Miura Toru

  公开号：US20120046308A1

  公开（公告）日：2012-02-23

  An α-phenoxybenzeneacetic acid derivative represented by general formula (I), which has both an angiotensin II receptor antagonistic activity and a PPARγ activation activity and is useful as a prophylactic and/or therapeutic agent for hypertension, metabolic syndrome or the like, a salt of the derivative, or a solvate of the derivative or the salt; and a pharmaceutical composition containing the derivative, the salt or the solvate. [In the formula, Q represents a group represented by formula (II) or (III) [wherein R 1 and R 1′ independently represent a C 1-6 alkyl group; R 2 and R 2′ independently represent a substituted or unsubstituted C 1-6 alkyl group; R 3 represents a hydrogen atom, a substituted or unsubstituted C 1-6 alkyl group, or a group represented by formula (IV) [wherein X and Y independently represent CH or N; Z represents a C 1-6 alkylene chain, or the like; R 11 represents a hydrogen atom, a C 6-10 aryl group, or the like; and m represents 0 or 1]; and R 4 represents a substituted C 1-6 alkyl group]; R 5 and R 6 independently represent a C 1-6 alkyl group: R 7 represents a carboxyl group, or the like; R 8 , R 9 and R 10 independently represent a hydrogen atom, a halogen atom, or the like; and n represents an integer of 1 to 3.]

  通用公式（I）表示的α-苯氧基苯乙酸衍生物，具有血管紧张素II受体拮抗活性和PPARγ激活活性，并可用作高血压、代谢综合征等的预防和/或治疗剂，或者衍生物的盐，或者衍生物或盐的溶剂；以及含有该衍生物、盐或溶剂的药物组合物。【在公式中，Q代表由公式（II）或（III）表示的基团【其中R1和R1'分别代表C1-6烷基基团；R2和R2'分别代表取代或未取代的C1-6烷基基团；R3代表氢原子、取代或未取代的C1-6烷基基团，或由公式（IV）表示的基团【其中X和Y独立地代表CH或N；Z代表C1-6烷基链等；R11代表氢原子、C6-10芳基基团等；m代表0或1】；而R4代表取代的C1-6烷基基团】；R5和R6独立地代表C1-6烷基基团；R7代表羧基等；R8、R9和R10独立地代表氢原子、卤素原子等；n代表1到3的整数。】
• Benzothiazine derivatives
  申请人：Hoechst Aktiengesellschaft

  公开号：US04595685A1

  公开（公告）日：1986-06-17

  Benzothiazine derivatives of the formula I ##STR1## with (R(1), R(1)', R(1)", R(4) and R(4)' equal to hydrogen, alkyl, alkoxy, halogen, nitro, hydroxyl, acetamido or amino; R(2) equal to hydrogen, alkyl, alkenyl, phenyl; R(3) equal to hydrogen, alkyl, alkenyl, phenyl; R(5) equal to hydrogen or (C.sub.1 -C.sub.3)-alkyl; R(6) equal to one of the following groups, ##STR2## with R(7) and R(8) equal to hydrogen, alkyl, cycloalkyl, phenyl; R(9) equal to hydrogen, alkyl, phenyl, pyridyl, pyrimidinyl or benzoyl; R(10) equal to hydrogen, alkyl, phenyl; R(11) equal to hydrogen, hydroxyl, alkoxy or, together with R(12), a bond; and R(12) equal to hydrogen or, together with R(11), a bond; m equal to 1, 2, 3 or 4; n equal to 0 or 1; p equal to 0, 1, 2, 3 or 4, and X equal to oxygen or two hydrogen atoms, and salts of the compounds of the formula I with physiologically tolerated acids and a process for the preparation of compounds I, likewise a method of treatment of disturbances of the calcium balance of a human body are described.

  苯并噻唑衍生物的化学式为I ##STR1##，其中(R(1)，R(1)'，R(1)"，R(4)和R(4)'分别等于氢，烷基，烷氧基，卤素，硝基，羟基，乙酰氨基或氨基；R(2)等于氢，烷基，烯基，苯基；R(3)等于氢，烷基，烯基，苯基；R(5)等于氢或(C.sub.1 -C.sub.3)-烷基；R(6)等于以下之一的基团，##STR2## 其中R(7)和R(8)等于氢，烷基，环烷基，苯基；R(9)等于氢，烷基，苯基，吡啶基，嘧啶基或苯甲酰基；R(10)等于氢，烷基，苯基；R(11)等于氢，羟基，烷氧基或与R(12)一起形成键；R(12)等于氢或与R(11)一起形成键；m等于1，2，3或4；n等于0或1；p等于0，1，2，3或4；X等于氧或两个氢原子；以及化合物I的生理耐受酸盐和制备化合物I的方法，同样描述了一种治疗人体钙平衡紊乱的方法。