4-bromo-3-chlorobenzenethiol | 853308-08-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 4-bromo-3-chlorobenzenethiol
• CAS: 853308-08-4
• 化学式: C₆H₄BrClS
• 分子量: 223.521
• InChiKey: OHZIKZATHQXXIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromo-3-chlorobenzenethiol 在 potassium permanganate 、 sodium hydride 、 溶剂黄146 作用下， 以 水 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 21.0h， 生成 8-(((4-bromo-3-chlorophenyl)sulfonyl)methyl)-1,4-dioxaspiro[4.5]decane
  参考文献：
  名称：

  WO2020035560A5

  摘要：

  公开号：

  WO2020035560A5
• 作为产物：
  描述：

  4-溴-3-氯苯磺酰氯 在 三苯基膦 、 盐酸 、 水 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以32%的产率得到4-bromo-3-chlorobenzenethiol
  参考文献：
  名称：

  WO2008/67481

  摘要：

  公开号：

文献信息

• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• [EN] NOVEL GALACTOSIDE INHIBITOR OF GALECTINS<br/>[FR] NOUVEAU GALACTOSIDE COMME INHIBITEUR DE GALECTINES
  申请人：GALECTO BIOTECH AB

  公开号：WO2021001528A1

  公开（公告）日：2021-01-07

  The present invention relates to a D-galactopyranose compound of formula (1) wherein the pyranose ring is α-D-galactopyranose, and these compounds are high affinity galectin-1 and/or galectin 3 inhibitors for use in treatment of inflammation; fibrosis; scarring; keloid formation; aberrant scar formation; surgical adhesions; septic shock; cancer; metastasising cancers; autoimmune diseases, metabolic disorders; heart disease; heart failure; pathological angiogenesis; eye diseases; atherosclerosis; metabolic diseases; diabetes type I; diabetes type II; insulin resistance; Diastolic heart failure; asthma; liver disorders.

  本发明涉及一种式（1）的D-半乳糖吡喃糖类化合物，其中吡喃糖环为α-D-半乳糖吡喃糖，这些化合物是高亲和力的galectin-1和/或galectin 3抑制剂，用于治疗炎症；纤维化；瘢痕形成；瘢痕增生；异常瘢痕形成；手术粘连；脓毒性休克；癌症；转移性癌症；自身免疫疾病；代谢紊乱；心脏病；心力衰竭；病理性血管生成；眼部疾病；动脉粥样硬化；代谢性疾病；糖尿病I型；糖尿病II型；胰岛素抵抗；舒张期心力衰竭；哮喘；肝脏疾病。
• NOVEL BIPHENYLSULFOXIMINES AS ALLOSTERIC MODULATORS OF THE DOPAMINE D1 RECEPTOR
  申请人：Universidad Complutense De Madrid

  公开号：EP3418270A1

  公开（公告）日：2018-12-26

  The present invention relates to new biphenylsulfoximine compounds and, in particular, to their activity as positive allosteric modulators of the dopamine D1 receptor and to their use for the treatment of pathological states for which a stimulator of this receptor activity is indicated. The invention further relates to pharmaceutical compositions containing them and to a process for the preparation of such compounds.

  本发明涉及新的联苯砜亚胺化合物，特别是它们作为多巴胺D1受体的正向别构调节剂的活性，以及它们用于治疗需要刺激该受体活性的病理状态。该发明还涉及含有它们的药物组合物以及制备这类化合物的方法。
• Heteroatom-Substituted Analogues of Orphan Nuclear Receptor Small Heterodimer Partner Ligand and Apoptosis Inducer (<i>E</i>)-4-[3-(1-Adamantyl)-4-hydroxyphenyl]-3-chlorocinnamic Acid
  作者：Zebin Xia、Lulu Farhana、Ricardo G. Correa、Jayanta K. Das、David J. Castro、Jinghua Yu、Robert G. Oshima、John C. Reed、Joseph A. Fontana、Marcia I. Dawson

  DOI：10.1021/jm200051z

  日期：2011.6.9

  (E)-4[3'-(1-Adamantyl)-4'-hydroxyphenyl]-3-chlorocinnamic acid (3-Cl-AHPC) induces the cell cycle arrest and apoptosis of cancer cells. Because its pharmacologic properties solubility, bioavailability, and toxicity required improvement for translation, structural modifications were made by introducing nitrogen atoms into the cinnamyl ring and replacing its E-double bond with XCH2 (X = O, N, and S) with the objective of enhancing these properties without impacting apoptosis-inducing activity. Analogues having nitrogen atoms in heterocyclic rings corresponding to the cinnamyl phenyl ring displayed equal or higher biological activities. The pyrimidine and pyridine analogues were more soluble in both phosphate-buffered saline and water. While the 2,5-disubstituted pyridine analogue was the most potent inducer of KG-1 acute myeloid leukemia cell apoptosis, on the basis of apoptotic activity in KG-1 cells and solubility, the 2,5-disubstituted pyrimidine proved to be the more promising candidate for treatment of acute myeloid leukemia.

  (E)-4([3'-亚胺基-4'-羟基苯基])3-氯丙烯酸包围苯环诱导癌细胞周期阻滞和凋亡。为了改进其药理活性，如溶解度、生物利用度和毒性，引入了氮原子到苯环的羟基取代位点，并将双键改 became XCH2（X = O，N，S），以提高药理活性/毒性。具有含N原子的杂环对应于表间环部分的类药物显示了相等或更高的生物活性。而含有嘌呤的对位的二甲苯碱和二甲基并环二甲苯碱相当容易在磷酸缓冲盐和水这些易溶溶剂中暴漏。其中，二甲苯并二取代的苯碱类药物是最有效诱导粒流感-1（KG-1）急性髓系白血病细胞凋亡的药物。基于对粒流感-1细胞的凋亡作用和社会性，二苯基苯碱似乎在急性髓系白血病治疗方面是一个更为有前途的候选药物。
• Novel 2-amino-4-oxo-5-arylthio-substituted-pyrrolo[2,3-d]pyrimidines as nonclassical antifolate inhibitors of thymidylate synthase
  作者：Aleem Gangjee、Hiteshkumar D. Jain、Roy L. Kisliuk

  DOI：10.1016/j.bmcl.2005.03.029

  日期：2005.5

  A series of 17 novel 2-amino-4-oxo-5-[(substituted phenyl)thio]pyrrolo[2,3-d]pyrimidines were synthesized as potential inhibitors of thymidylate synthase (TS) and as antitumor agents. The analogues contain a variety of electron withdrawing substituents on the phenyl ring of the side chain and were evaluated as inhibitors of human TS (hTS) and Escherichia coli TS and of human and E. coli dihydrofolate

  合成了17种新颖的2-氨基-4-氧代-5-[（取代的苯基）硫代]吡咯并[2,3-d]嘧啶类化合物，作为胸苷酸合酶（TS）的潜在抑制剂和抗肿瘤剂。该类似物在侧链的苯环上包含各种吸电子取代基，被评估为人类TS（hTS）和大肠杆菌TS以及人类和大肠杆菌二氢叶酸还原酶（DHFR）的抑制剂。类似物14、17和18是hTS的有效抑制剂，IC50值分别为0.28、0.21和0.22 microM，并且比临床使用的ZD1694、2和LY231514、3对人TS的抑制作用更强。