3,4-dichlorosalicylic acid | 14010-45-8

• 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: 3,4-dichlorosalicylic acid
• 英文别名: 3,4-dichloro-2-hydroxybenzoic acid
• CAS: 14010-45-8
• 化学式: C₇H₄Cl₂O₃
• mdl: MFCD11203614
• 分子量: 207.013
• InChiKey: YDOVRFJDZXIYMW-UHFFFAOYSA-N

物化性质

• 沸点：
  322.8±42.0 °C(Predicted)
• 密度：
  1.665±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-dichlorosalicylic acid 在 Raney Co-Al alloy 氘氧化钠 、 重水 作用下， 反应 1.0h， 生成 <3,4-D₂>-salicylic acid
  参考文献：
  名称：

  Tashiro, Masashi; Tsuzuki, Hirohisa; Matsumoto, Jun-ichi, Journal of Chemical Research, Miniprint, 1989, # 12, p. 2826 - 2851

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(3,4-二氯-2-羟基苯基)乙酮 在 sodium hydroxide 、 potassium permanganate 作用下， 以 水 为溶剂， 反应 1.0h， 以35%的产率得到3,4-dichlorosalicylic acid
  参考文献：
  名称：

  Tashiro, Masashi; Tsuzuki, Hirohisa; Matsumoto, Jun-ichi, Journal of Chemical Research, Miniprint, 1989, # 12, p. 2826 - 2851

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS AND METHODS FOR POTENTIATING COLISTIN ACTIVITY<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR POTENTIALISER L'ACTIVITÉ DE LA COLISTINE
  申请人：UNIV NOTRE DAME DU LAC

  公开号：WO2021086567A1

  公开（公告）日：2021-05-06

  Infections caused by multidrug-resistant (MDR) bacteria, particularly Gram-negative bacteria, are an escalating global health threat. Often clinicians are forced to administer the last resort antibiotic colistin, however colistin resistance is becoming increasingly prevalent, giving rise to the potential for a situation in which there are no treatment options for MDR Gram-negative infections. The development of adjuvants that circumvent bacterial resistance mechanisms is a promising orthogonal approach to the development of new antibiotics. We recently disclosed that the known IKK-β inhibitor IMD-0354 potently suppresses colistin resistance in several Gram-negative strains. In this disclosure, we explore the structure activity relationship (SAR) between the IMD-0354 scaffold and colistin resistance suppression, and identify several compounds with more potent activity than the parent against highly colistin resistant strains of Acinetobacter baumannii and Klebsiella pneumoniae.

  由多药耐药（MDR）细菌引起的感染，特别是革兰氏阴性细菌，是一种不断加剧的全球健康威胁。通常情况下，临床医生被迫使用最后的抗生素科利星，然而科利星耐荐性越来越普遍，导致可能出现无法治疗MDR革兰氏阴性细菌感染的情况。开发能够规避细菌耐药机制的辅助剂是开发新抗生素的一种有前途的正交方法。我们最近披露，已知的IKK-β抑制剂IMD-0354能够有效抑制几种革兰氏阴性菌株对科利星的耐药性。在这一披露中，我们探讨了IMD-0354骨架与科利星耐药抑制之间的结构活性关系（SAR），并确定了几种比母体更具有强效活性的化合物，对鲍曼不动杆菌和肺炎克雷伯氏菌高度耐科利星的菌株具有更强的活性。
• Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors
  作者：Jo Alen、Markus Schade、Markus Wagener、Frank Christian、Sonja Nordhoff、Beatrix Merla、Torsten R. Dunkern、Gregor Bahrenberg、Paul Ratcliffe

  DOI：10.1021/acs.jmedchem.9b00218

  日期：2019.7.11

  Here we used 19F NMR fragment screening for the discovery of novel, ligand-efficient SPR inhibitors. We report the crystal structures of six chemically diverse inhibitors complexed with SPR, identifying relevant interactions and binding modes in the sepiapterin pocket. Exploration of our initial fragment screening hit led to double-digit nanomolar inhibitors of SPR with excellent ligand efficiency.

  在慢性下背痛患者中的全基因组关联研究认为，Sepaapterin还原酶是开发新型镇痛药的重要目标。在这里，我们使用19 F NMR片段筛选来发现新型的，配体有效的SPR抑制剂。我们报告了与SPR配合使用的六种化学多样的抑制剂的晶体结构，确定了Sepaapterin口袋中的相关相互作用和结合模式。对我们最初的片段筛选命中的探索导致了具有出色配体效率的两位数纳摩尔SPR抑制剂。
• FUNCTIONAL BIODEGRADABLE POLYMERS
  申请人：Pugh Coleen

  公开号：US20130184429A1

  公开（公告）日：2013-07-18

  Biodegradable polyesters are made by synthesizing copolymers derived from biodegradable hydroxyacid monomers as well as from hydroxyacid monomers containing a functional group such as an azide group, a halogen group, a thioacetate group, and the like. Preferably, the functionalized biodegradable polyester copolymers are derived from a functionalized hydroxyacid such as a homolog of lactic acid and/or glycolic acid with the copolyester thus containing functional groups on the backbone thereof. These biodegradable polyesters can be utilized wherever biodegradable polyesters are currently used, and also serve as a polymer to which various medical and drug delivery systems can be attached.

  可生物降解聚酯是通过合成来自可生物降解羟基酸单体和含有官能团的羟基酸单体的共聚物制成的，例如偶氮基团、卤素基团、硫代乙酸酯基团等。最好使用含有官能团的可生物降解聚酯共聚物来自含有官能团的羟基酸，例如乳酸和/或甘醇酸的同系物，因此共聚酯具有官能团。这些可生物降解聚酯可以用于目前使用可生物降解聚酯的任何地方，并且还可以作为可以连接各种医疗和药物输送系统的聚合物。
• Method for expressing desxoyribonuclease in plants
  申请人：Philip Morris Products S.A.

  公开号：EP2468870A1

  公开（公告）日：2012-06-27

  The present invention provides, in one aspect, to a method for expressing DNase in a plant comprising growing a plant that has been transformed with a nucleic acid construct comprising a nucleic acid sequence encoding DNase under the control of a regulatory nucleotide sequence that regulates the transcription of said nucleic acid sequence in said plant.

  本发明的一个方面是提供了一种在植物中表达 DNase 的方法，该方法包括种植用核酸构建体转化的植物，该核酸构建体包含编码 DNase 的核酸序列，受调控核苷酸序列的控制，该核苷酸序列在所述植物中调控所述核酸序列的转录。
• Method for producing mullerian inhibitor substance in plants
  申请人：Philip Morris Products S.A.

  公开号：EP2468872A1

  公开（公告）日：2012-06-27

  The present invention provides, in one aspect, a method for producing Mullerian Inhibitor Substance in a plant comprising incubating or growing a plant into which has been introduced or infiltrated a nucleic acid construct comprising, consisting or consisting essentially of a nucleic acid sequence encoding a Mullerian Inhibitor Substance fusion protein that comprises a fusion protein partner that induces the formation of a protein body in a plant, preferably, wherein the step of introducing or infiltrating the plant is performed prior to the incubating or growing step.

  本发明在一个方面提供了一种在植物中生产苗勒氏抑制物质的方法，该方法包括孵育或生长植物，在该植物中导入或渗入核酸构建体，该核酸构建体由编码苗勒氏抑制物质融合蛋白的核酸序列组成，该融合蛋白包含可诱导植物形成蛋白体的融合蛋白伴侣，优选地，其中导入或渗入植物的步骤在孵育或生长步骤之前进行。