4-甲氧基-3-(三氟甲氧基)苯甲酸 | 647855-22-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲氧基-3-(三氟甲氧基)苯甲酸
• 英文名称: 4-methoxy-3-(trifluoromethoxy)-benzoic acid
• 英文别名: 4-Methoxy-3-(trifluoromethoxy)benzoic acid
• CAS: 647855-22-9
• 化学式: C₉H₇F₃O₄
• 分子量: 236.147
• InChiKey: PHSHCIBRNMLSBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4-甲氧基-3-(三氟甲氧基)苯甲酸 在 草酰氯 作用下， 反应 6.0h， 生成 4-methoxy-3-(trifluoromethoxy)-benzoyl chloride
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY
  [FR] COMPOSÉS DESTINÉS AU TRAITEMENT DE L'AMYOTROPHIE SPINALE

  摘要：

  公开号：

  WO2013119916A3
• 作为产物：
  描述：

  2-(三氟甲氧基)苯酚 在 溴 、 叔丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 、 正戊烷 为溶剂， 反应 48.25h， 生成 4-甲氧基-3-(三氟甲氧基)苯甲酸
  参考文献：
  名称：

  Potent, Novel in Vitro Inhibitors of the Pseudomonas aeruginosa Deacetylase LpxC

  摘要：

  Deacetylation of uridyldiphospho-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine by LpxC is the first committed step in the Pseudomonas aeruginosa biosynthetic pathway to lipid A; homologous enzymes are found widely among Gram-negative bacteria. As an essential enzyme for which no inhibitors have yet been reported, the P. aeruginosa LpxC represents a highly attractive target for a novel antibacterial drug. We synthesized several focused small-molecule libraries, each composed of a variable aromatic ring, one of four heterocyclic/spacer moieties, and a hydroxamic acid and evaluated the LpxC inhibition of these compounds against purified P. aeruginosa enzyme. To ensure that the in vitro assay would be as physiologically relevant as possible, we synthesized a tritiated form of the specific P. aeruginosa glycolipid substrate and measured directly the enzymatically released acetate. Several of our novel compounds, predominantly those having fluorinated substituents on the aromatic ring and an oxazoline as the heterocyclic moiety, demonstrated in vitro IC50 values less than 1 muM. We now report the synthesis and in vitro evaluation of these P. aeruginosa LpxC inhibitors.

  DOI：

  10.1021/jm010579r

文献信息

• [EN] SUBSTITUTED (1, 2, 4-0XADIAZ0L-3-YL) INDOLIN-1-YL CARBOXYLIC ACID DERIVATIVES USEFUL AS S1P1 AGONISTS<br/>[FR] DÉRIVÉS DE L'ACIDE (1, 2, 4-OXADIAZOL-3-YL)INDOLIN-1-YL CARBOXYLIQUE SUBSTITUÉ POUVANT ÊTRE UTILISÉS COMME AGONISTES DE S1P1
  申请人：ARENA PHARM INC

  公开号：WO2009151626A1

  公开（公告）日：2009-12-17

  The present invention relates to certain substituted (1,2,4-oxadiazol-3-yl)indolin-2-yl carboxylic acid derivatives of Formula (Ia) and pharmaceutically acceptable salts thereof, which exhibit useful pharmacological properties, for example, as agonists of the SlPl receptor. Also provided by the present invention are pharmaceutical compositions containing compounds of the invention, and methods of using the compounds and compositions of the invention in the treatment of SlPl receptor-associated disorders, for example, psoriasis, rheumatoid arthritis, Crohn's disease, transplant rejection, multiple sclerosis, systemic lupus erythematosus, ulcerative colitis, type I diabetes, acne, microbial infections or diseases and viral infections or diseases.

  本发明涉及某些取代的（1,2,4-氧二唑-3-基）吲哚-2-基羧酸衍生物（Ia式）及其药学上可接受的盐，这些化合物具有有用的药理特性，例如作为SlPl受体激动剂。本发明还提供了含有该发明化合物的制药组合物，以及使用该发明化合物和组合物治疗SlPl受体相关疾病的方法，例如银屑病、类风湿性关节炎、克罗恩病、移植排斥、多发性硬化症、系统性红斑狼疮、溃疡性结肠炎、I型糖尿病、痤疮、微生物感染或疾病和病毒感染或疾病。
• COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY
  申请人：PTC Therapeutics, Inc.

  公开号：US20180105526A1

  公开（公告）日：2018-04-19

  Provided herein are compounds, compositions thereof and uses therewith for treating spinal muscular atrophy.

  本文提供了用于治疗脊髓性肌萎缩症的化合物、其组成物和使用方法。
• N-hydroxyamide derivatives possessing antibacterial activity
  申请人：Raju Bore G.

  公开号：US20080058304A1

  公开（公告）日：2008-03-06

  Novel N-hydroxyamide derivatives are disclosed. These N-hydroxyamide derivatives inhibit UPD-3-O—(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase, an enzyme present in gram negative bacteria and are therefore useful as antimicrobials and antibiotics. Methods of synthesis and of use of the compounds are also disclosed.

  本发明揭示了新型N-羟基酰胺衍生物。这些N-羟基酰胺衍生物能够抑制存在于革兰氏阴性菌中的UPD-3-O-(R-3-羟基肉豆蔻酰)-N-乙酰葡萄糖胺脱乙酰酶，因此可用作抗微生物和抗生素。本发明还揭示了所述化合物的合成和使用方法。
• Compounds for treating spinal muscular atrophy
  申请人：PTC Therapeutics, Inc.

  公开号：US10851101B2

  公开（公告）日：2020-12-01

  Provided herein are compounds of Formula (I): and forms thereof, including compositions thereof and uses therewith for treating spinal muscular atrophy.

  本文提供的是式 (I) 化合物： 及其形式，包括其组合物和用途，用于治疗脊髓性肌萎缩症。
• [EN] N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY<br/>[FR] DERIVES DE N-HYDROXYAMIDE AYANT UNE ACTIVITE ANTI-BACTERIENNE
  申请人：VICURON PHARM INC

  公开号：WO2004007444A3

  公开（公告）日：2004-09-10