ethyl 2-chlorosulfonyl-5, 5-dimethyl-1-cyclohexene-1-carboxylate | 243984-46-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 磺酰卤
• 英文名称: ethyl 2-chlorosulfonyl-5, 5-dimethyl-1-cyclohexene-1-carboxylate
• 英文别名: Ethyl 2-chlorosulfonyl-5,5-dimethyl-1-cyclohexene-1-carboxylate；ethyl 2-chlorosulfonyl-5,5-dimethylcyclohexene-1-carboxylate
• CAS: 243984-46-5
• 化学式: C₁₁H₁₇ClO₄S
• 分子量: 280.773
• InChiKey: UZTLXDIZURYPQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-chlorosulfonyl-5, 5-dimethyl-1-cyclohexene-1-carboxylate 、 2-氯-4-氟苯胺 生成 ethyl 6-[N-(2-chloro-4-fluorophenyl)sulfamoyl]-3,3-dimethyl-1-cyclohexene-1-carboxylate
  参考文献：
  名称：

  Cycloalkene derivatives, process for producing the same, and use

  摘要：

  本发明提供了一种由以下公式表示的化合物：其中R代表一个具有取代基的脂肪烃基、一个具有取代基的芳香烃基、一个具有取代基的杂环基、一个由公式表示的基团：OR1（其中R1代表氢原子或具有取代基的脂肪烃基）或一个由公式表示的基团：其中R1b代表氢原子或具有取代基的脂肪烃基，R1c与R1b相同或不同，代表氢原子或具有取代基的脂肪烃基，R0代表氢原子或脂肪烃基，或者R和R0彼此之间形成键结合，Ar代表具有取代基的芳香烃基，n为1至4的整数，或其盐，用作预防或治疗心脏病、自身免疫疾病、感染性休克等疾病的药物。

  公开号：

  US06495604B1

文献信息

• PHARMACEUTICAL AGENT
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2018855A1

  公开（公告）日：2009-01-28

  The present invention provides an agent for the prophylaxis or treatment of complications after coronary-artery bypass surgery or cardiac diseases, autoimmune diseases, central nervous system diseases, inflammatory diseases, sepsis, severe sepsis or septic shock in a patient who undergoes coronary-artery bypass surgery, which comprises a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a compound represented by the formula (II): wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof, and an agent for the prophylaxis or treatment of sepsis and the like, as well as complications after coronary-artery bypass surgery, which is prepared for administration of ethyl (6R)-6-[(2-chloro-4-fluoroanilino)sulfonyl]-1-cyclohexene-1-carboxylate or a salt thereof or a prodrug thereof in a specific dose at a specific administration time.

  本发明提供了一种用于预防或治疗冠状动脉旁路手术或心脏疾病、自身免疫疾病、中枢神经系统疾病、炎症性疾病、败血症、重型败血症或脓毒性休克后并发症的药剂，该药剂包括由式(I)表示的化合物：其中每个符号如规范中定义，或由式(II)表示的化合物：其中每个符号如规范中定义，或其盐或前药，以及一种用于预防或治疗败血症等并发症及冠状动脉旁路手术后并发症的药剂，该药剂用于在特定剂量和特定给药时间内给予乙酸乙酯(6R)-6-[(2-氯-4-氟苯胺基)磺酰]-1-环己烯-1-羧酸乙酯或其盐或前药。
• Combination Drugs
  申请人：——

  公开号：US20040063685A1

  公开（公告）日：2004-04-01

  The present invention relates to a pharmaceutical agent containing an anti-sepsis drug (e.g., cycloalkene compound), and at least one kind of drug selected from the group consisting of an antibacterial agent, an antifungal agent, a non-steroidal antiinflammatory drug, a steroid and an anticoagulant in combination.

  本发明涉及一种药物制剂，其包含一种抗脓毒症药物（例如环烷化合物），并且与至少一种从抗菌药物、抗真菌药物、非甾体抗炎药、类固醇和抗凝剂中选择的药物组合使用。
• STABLE EMULSION COMPOSITION
  申请人：Asakawa Naoki

  公开号：US20100016381A1

  公开（公告）日：2010-01-21

  The present invention provides an emulsion composition comprising (A) a compound stable in an acidic range, and (B) a buffer, wherein the pH is adjusted from about 3.7 to about 5.5.

  本发明提供了一种乳液组合物，包括(A)在酸性范围内稳定的化合物和(B)缓冲剂，其中pH值调节在大约3.7到5.5之间。
• Stable emulsion compositions
  申请人：——

  公开号：US20030212114A1

  公开（公告）日：2003-11-13

  An emulsion composition containing a compound represented by the formula: 1 wherein R is an aliphatic hydrocarbon group optionally having substituents, an aromatic hydrocarbon group optionally having substituents, a heterocyclic group optionally having substituents, a group represented by the formula: —OR 1 (wherein R 1 is a hydrogen atom or an aliphatic hydrocarbon group optionally having substituents) or a group represented by the formula: 2 wherein R 1b is a hydrogen atom or an aliphatic hydrocarbon group optionally having substituents, R 1c is the same as or different from R 1b and is a hydrogen atom or an aliphatic hydrocarbon group optionally having substituents, R 0 is a hydrogen atom or an aliphatic hydrocarbon group, or R and R 0 in combination represent a bond, Ar is an aromatic hydrocarbon group optionally having substituents 3 and the like, and n is an integer of 1 to 4, a salt thereof or a prodrug thereof, wherein the composition is adjusted to have a pH of not more than about 6, shows improved stability of the compound, a salt thereof or a prodrug thereof, and realizes expression of superior efficacy.

  一种乳液组合物，含有由以下公式表示的化合物： 其中R是脂肪族烃基，可选地具有取代基，芳香族烃基，可选地具有取代基，杂环基，可选地具有取代基，代表式为—OR1（其中R1是氢原子或可选地具有取代基的脂肪族烃基）的基团，或代表式为2的基团（其中R1b是氢原子或可选地具有取代基的脂肪族烃基，R1c与R1b相同或不同，是氢原子或可选地具有取代基的脂肪族烃基，R0是氢原子或脂肪族烃基，或R和R0组合表示键合），Ar是芳香族烃基，可选地具有取代基3等，n为1至4的整数，其盐或前药，其中该组合物的pH值调整为不超过约6，表现出改善化合物，其盐或前药的稳定性，并实现优越疗效的表达。
• CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1063228A1

  公开（公告）日：2000-12-27

  Compounds represented by formula (1a) or salts thereof, which are preventives/remedies for heart diseases, autoimmune diseases, inflammatory diseases, septic shock, etc., wherein R represents an optionally substituted aliphatic hydrocarbon group, optionally substituted aromatic hydrocarbon group, optionally substituted heterocyclic group, group represented by OR1 (wherein R1 represents hydrogen or an optionally substituted aliphatic hydrocarbon group), or group represented by formula (A) (wherein R1b band R1c are the same or different and each represents hydrogen or an optionally substituted aliphatic hydrocarbon group); R0 represents hydrogen or an aliphatic hydrocarbon group, or R and R0 in combination represent a bond; Ar represents an optionally substituted aromatic hydrocarbon group; and (B) or (C) where n is an integer of 1 to 4.

  式(1a)代表的化合物或其盐，可预防/治疗心脏病、自身免疫性疾病、炎症性疾病、脓毒性休克等、其中 R 代表任选取代的脂肪族烃基、任选取代的芳香族烃基、任选取代的杂环基、由 OR1 代表的基团（其中 R1 代表氢或任选取代的脂肪族烃基）或由式（A）代表的基团（其中 R1b 带 R1c 相同或不同，且各自代表氢或任选取代的脂肪族烃基）；R0 代表氢或脂族烃基，或 R 和 R0 结合代表键； Ar 代表任选取代的芳族烃基；以及 (B) 或 (C) 其中 n 为 1 至 4 的整数。