4-氯-2,5-二甲基苯磺酰胺 | 219689-73-3

• 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-氯-2,5-二甲基苯磺酰胺
• 中文别名: 4-氯-2,5-二甲基苯磺胺
• 英文名称: 4-chloro-2,5-dimethylbenzenesulfonamide
• 英文别名: 4-chloro-2,5-dimethyl-benzenesulfonic acid amide；4-Chlor-2,5-dimethyl-benzolsulfonsaeure-amid
• CAS: 219689-73-3
• 化学式: C₈H₁₀ClNO₂S
• 分子量: 219.692
• InChiKey: YSDCIOQWHXYICL-UHFFFAOYSA-N

物化性质

• 熔点：
  190-192°C
• 沸点：
  377.1±52.0 °C(Predicted)
• 密度：
  1.348±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  4-氯-2,5-二甲基苯磺酰胺 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper diacetate 、 zinc(II) chloride 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of Benzofused Five-Ring Sultams via Rh-Catalyzed C–H Olefination Directed by an N-Ac-Substituted Sulfonamide Group

  摘要：

  A Rh-catalyzed N-Ac-sulfonamide group directed C-H olefination-cyclization to afford benzofused five-ring sultam is described with high yield and a wide range of substrate scope. The N-acetyl group is a key for this transformation implying that N-H acidity is the major influence. The acetyl group is removed under mild conditions in excellent yield to provide NH-free sultam that can be transformed into various benzofused five-ring sultam analogues via acylation, nucleophilic substitution, and Mitsunobu alkylation.

  DOI：

  10.1021/jo502224d
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 4-氯-2,5-二甲基苯磺酰胺
  参考文献：
  名称：

  Wahl, Annales de Chimie (Cachan, France), 1936, vol. <11> 5, p. 5,42

  摘要：

  DOI：

文献信息

• THIAZOLIDINONE COMPOUNDS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170253569A1

  公开（公告）日：2017-09-07

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。
• Ccr4 antagonist and medical use thereof
  申请人：Habashita Hiromu

  公开号：US20060004010A1

  公开（公告）日：2006-01-05

  A compound of formula (I) or a salt thereof, and medical use thereof (the symbols in the formula are as described in the specification). The compound of formula (I) has CCR4 antagonistic activity, and therefore is useful as a preventive and/or therapeutic agent for diseases associated with CCR4, i.e., CCR4-mediated diseases such as inflammatory and/or allergic diseases [e.g., systemic inflammatory response syndrome (SIRS), anaphylaxis or anaphylaxis-like reaction, allergic vasculitis, reject reaction for graft organ, hepatitis, nephritis, nephrosis, pancreatitis, rhinitis, arthritis, inflammatory ocular diseases, inflammatory bowel diseases, diseases in cerebro and/or circulatory system, respiratory diseases, dermatic diseases, autoimmune diseases, etc.], and the like.

  化合物式（I）或其盐，并且其医疗用途（式中的符号如说明书所述）。化合物式（I）具有CCR4拮抗活性，因此可用作预防和/或治疗CCR4相关的疾病的药物，即CCR4介导的疾病，例如炎症和/或过敏性疾病[例如全身炎症反应综合征（SIRS），过敏性休克或类似休克反应，过敏性血管炎，移植器官排斥反应，肝炎，肾炎，肾病综合征，胰腺炎，鼻炎，关节炎，炎症性眼部疾病，炎症性肠病，大脑和/或循环系统疾病，呼吸系统疾病，皮肤疾病，自身免疫性疾病等]等。
• Synthetic Transformations of Higher Terpenoids. 42*. Synthesis and Biological Activity of (Arylsulfonylureido)Diterpenoids with Various Substituents on the Aryl Fragment
  作者：M. A. Gromova、Yu.V. Kharitonov、T. V. Rybalova、S. A. Borisov、T. G. Tolstikova、E. E. Shults

  DOI：10.1007/s10600-023-03981-1

  日期：2023.3

  The first (arylsulfonylureido)-substituted derivatives of tricyclic diterpenoids were synthesized by the reaction of isopimaric acid isocyanate with sulfonamides of various structures. The molecular structures of 11c and 12 were proved by X-ray crystal structure analyses. The anti-inflammatory activity was studied in a histamine inflammatory edema model. The activity depended significantly on the substituent

  通过异海松酸异氰酸酯与各种结构的磺酰胺反应合成了第一个（芳基磺酰脲基）取代的三环二萜类衍生物。通过X射线晶体结构分析证明了11c和12的分子结构。在组胺炎性水肿模型中研究了抗炎活性。活性显着取决于磺酰脲基片段中的取代基。
• CCR4 ANTAGONIST AND MEDICINAL USE THEREOF
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1541563A1

  公开（公告）日：2005-06-15

  A compound of formula (I) or a salt thereof, and medical use thereof (the symbols in the formula are as described in the specification). The compound of formula (I) has CCR4 antagonistic activity, and therefore is useful as a preventive and/or therapeutic agent for diseases associated with CCR4, i.e., CCR4-mediated diseases such as inflammatory and/or allergic diseases [e.g., systemic inflammatory response syndrome (SIRS), anaphylaxis or anaphylaxis-like reaction, allergic vasculitis, reject reaction for graft organ, hepatitis, nephritis, nephrosis, pancreatitis, rhinitis, arthritis, inflammatory ocular diseases, inflammatory bowel diseases, diseases in cerebro and/or circulatory system, respiratory diseases, dermatic diseases, autoimmune diseases, etc.], and the like.

  式 (I) 的化合物或其盐及其医疗用途（式中符号如说明书所述）。 式（I）化合物具有 CCR4 拮抗活性，因此可用作与 CCR4 相关疾病的预防和/或治疗剂，即 CCR4 介导的疾病，如炎症性和/或过敏性疾病[如、全身炎症反应综合征（SIRS）、过敏性休克或过敏性休克样反应、过敏性血管炎、移植器官排斥反应、肝炎、肾炎、肾病、胰腺炎、鼻炎、关节炎、炎症性眼病、炎症性肠病、脑和/或循环系统疾病、呼吸系统疾病、皮肤病、自身免疫性疾病等]等。
• Thiazolidinone compounds and use thereof
  申请人：National Health Research Institutes

  公开号：US10544113B2

  公开（公告）日：2020-01-28

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有用于治疗阿片受体相关疾病的式 (I) 化合物的药物组合物。还公开了一种使用此类化合物治疗阿片受体相关疾病的方法。进一步公开了两组式(I)的噻唑烷酮化合物：(i)对映体过量大于 90%的化合物和(ii)各自被氘取代的化合物。