1-溴-3-(乙基磺酰基)苯 | 18184-69-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 1-溴-3-(乙基磺酰基)苯
• 英文名称: 3-bromo-1-ethanesulfanylbenzene
• 英文别名: 1-bromo-3-(ethylthio)benzene；m-(Ethylthio)brombemol；1-Bromo-3-(ethylsulfanyl)benzene；1-bromo-3-ethylsulfanylbenzene
• CAS: 18184-69-5
• 化学式: C₈H₉BrS
• mdl: MFCD10699173
• 分子量: 217.129
• InChiKey: DYKHQTGFDPTFQD-UHFFFAOYSA-N

物化性质

• 沸点：
  122-123 °C
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2930909090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温

SDS

3-溴-1-乙硫基苯MSDS英文版

反应信息

• 作为反应物：
  描述：

  1-溴-3-(乙基磺酰基)苯 生成 3-ethylthiobenzaldehyde
  参考文献：
  名称：

  WATABE, TADASHI;HIRATSUKA, AKIRA;SONE, TOMOMICHI;ISHIHAMA, TETSUYA, J. CHEM. SOC. CHEM. COMMUN., 1983, N 10, 585-586

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴苯硫酚 、 碘乙烷 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以100%的产率得到1-溴-3-(乙基磺酰基)苯
  参考文献：
  名称：

  Structure-based design of COX-2 selectivity into flurbiprofen

  摘要：

  Comparative computer modeling of the X-ray crystal structures of cyclooxygenase isoforms COX-1 and COX-2 has led to the design of COX-2 selectivity into the nonselective inhibitor flurbiprofen. The COX-2 modeling was based on a postulated binding mode for flurbiprofen and took advantage of a small alcove in the COX-2 active site created by different positions of the Leu384 sidechain between COX-I and COX-2. The design hypothesis was tested by synthesis and biological assay of a series of flurbiprofen analogs, culminating in the discovery of several inhibitors having up to 78-fold selectivity for COX-2 over COX-1. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00717-3

文献信息

• QUENCHER
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：US20170342031A1

  公开（公告）日：2017-11-30

  A quencher is disclosed having a compound represented by the following general formula (1): wherein R 5 each independently represent a halogen atom, an alkyl group, an alkoxy group, an alkylthio group, an amino group having a substituent or not having a substituent, a hydroxy group, an aryl group, an aryloxy group, or an arylalkyl group; R 6 represents a group having a polymerizable unsaturated group, a hydroxy group, or the like; Y 1 represents an oxygen atom, or the like; An − represents an anion; Ar 1 represents a specific ring structure; * and ** represent binding positions; Ar 2 represents a benzene ring, a naphthalene ring, or an anthracene ring; n 1 represents a specific integer; and the following structure (1-10) in the general formula (1) is an asymmetric structure; (wherein R 5 , Y 1 , Ar 1 , Ar 2 , n 1 , * and ** are the same as described above.).

  一种淬灭剂被公开，该淬灭剂具有以下一般公式(1)表示的化合物： 其中R5各自独立代表一个卤素原子、一个烷基团、一个烷氧基团、一个烷硫基团、一个带有或不带有取代基的氨基团、一个羟基、一个芳基团、一个芳氧基团或一个芳烷基团；R6代表一个具有可聚合不饱和基团、一个羟基或类似基团的集团；Y1代表一个氧原子或类似；An代表一个阴离子；Ar1代表一个特定的环结构；*和**代表结合位置；Ar2代表一个苯环、一个萘环或一个蒽环；n1代表一个特定的整数； 并且一般公式(1)中的以下结构(1-10)是一个不对称结构； (其中R5、Y1、Ar1、Ar2、n1、*和**与上述描述相同)。
• [EN] AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS<br/>[FR] DÉRIVÉS D'AMINE AGISSANT COMME BLOQUEURS DU CANAL POTASSIUM
  申请人：BIONOMICS LTD

  公开号：WO2012155199A1

  公开（公告）日：2012-11-22

  The present invention relates to compounds useful in the modulation of potassium channel activity in cells, in particular the activity of Kv1.3 channels found in T cells. The invention also relates to the use of these compounds in the treatment or prevention of autoimmune and inflammatory diseases, including multiple sclerosis, pharmaceutical compositions containing these compounds and methods for their preparation.

  本发明涉及一种在细胞中调节钾通道活性的化合物，特别是发现在T细胞中的Kv1.3通道的活性。该发明还涉及利用这些化合物治疗或预防自身免疫和炎症性疾病，包括多发性硬化症，含有这些化合物的药物组合物以及其制备方法。
• Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors
  申请人：Rodgers D. James

  公开号：US20070135461A1

  公开（公告）日：2007-06-14

  The present invention provides heteroaryl substituted pyrrolo[2,3-b]pyridines and heteroaryl substituted pyrrolo[2,3-b]pyrimidines that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases, skin disorders, myeloid proliferative disorders, cancer, and other diseases.

  本发明提供了杂环取代的吡咯并[2,3-b]吡啶和杂环取代的吡咯并[2,3-b]嘧啶，可以调节雅努斯激酶的活性，并且在治疗与雅努斯激酶活性相关的疾病中具有用处，例如免疫相关疾病、皮肤疾病、髓增生性疾病、癌症和其他疾病。
• METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND AND 3-ARYLPROPIONIC ACID ESTER COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20200165209A1

  公开（公告）日：2020-05-28

  The present invention provides a method for industrially producing: a pyrimidine compound having pest control efficacy; 2-[4-(trifluoromethyl)phenyl]ethylamine which is a production intermediate of the pyrimidine compound; a phenylethylamine compound useful as a pharmaceutical and agrochemical intermediate; and further a 3-arylpropionamide compound and a 3-arylpropionic acid ester compound useful as production intermediates of the phenylethylamine compound. The 3-arylpropionamide compound or the 3-arylpropionic acid ester compound can be efficiently and industrially produced in a single step by reacting a compound represented by formula (1) (wherein X represents a chlorine atom or a bromine atom; and Y represents an alkyl group optionally substituted with fluorine atom(s), a hydrogen atom, a fluorine atom, a cyano group, an alkylcarbonyl group, a dialkylamino group, or the like) with acrylamide or an acrylic acid ester in the presence of a metal catalyst and a reducing agent.

  本发明提供了一种工业生产方法：制备具有杀虫效果的嘧啶化合物；2-[4-(三氟甲基)苯基]乙胺，它是嘧啶化合物的生产中间体；一种作为药用和农药中间体有用的苯乙胺化合物；以及进一步的作为苯乙胺化合物的生产中间体有用的3-芳基丙酰胺化合物和3-芳基丙酸酯化合物。通过在金属催化剂和还原剂存在下，将由式(1)表示的化合物（其中X代表氯原子或溴原子；Y代表可选地取代氟原子、氢原子、氟原子、氰基、烷基羰基、二烷基氨基基团等的烷基基团）与丙烯酰胺或丙烯酸酯反应，可以高效地并且工业化地在一步中生产3-芳基丙酰胺化合物或3-芳基丙酸酯化合物。
• [EN] SULFINYLPHENYL OR SULFONIMIDOYLPHENYL BENZAZEPINES<br/>[FR] BENZAZÉPINES DE SULFINYLPHÉNYLE OU DE SULFONIMIDOYLPHÉNYLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017046112A1

  公开（公告）日：2017-03-23

  This invention relates to novel sulfinylphenyl or sulfonimidoylphenyl benzazepine compounds of the formula (I) wherein X and R1 to R6 are as defined in the description and in the claims, as well as pharmaceutically acceptable salts thereof. These compounds are TLR agonists and may therefore be useful as medicaments for the treatment of diseases such as cancer, autoimmune diseases, inflammation, sepsis, allergy, asthma, graft rejection, graft-versus-host disease, immunodeficiencies, and infectious diseases.

  这项发明涉及一种新型的苯基亚砜基或磺酰胺基苯基苯并二氮杂蒽烃化合物，其化学式为（I），其中X和R1至R6如描述和索赔中所定义，并且其药学上可接受的盐。这些化合物是TLR激动剂，因此可能作为治疗癌症、自身免疫疾病、炎症、败血症、过敏、哮喘、移植排斥、移植物抗宿主病、免疫缺陷和传染病等疾病的药物而有用。