ethyl 2-chlorosulfonyl-5-phenyl-1-cyclohexene-1-carboxylate | 243984-40-9

• 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: ethyl 2-chlorosulfonyl-5-phenyl-1-cyclohexene-1-carboxylate
• 英文别名: Ethyl 2-chlorosulfonyl-5-phenylcyclohexene-1-carboxylate
• CAS: 243984-40-9
• 化学式: C₁₅H₁₇ClO₄S
• 分子量: 328.817
• InChiKey: KFHWZMQGJCTBFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

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。
• 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。
• PHARMACEUTICAL COMPOSITION
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1310248A1

  公开（公告）日：2003-05-14

  The present invention relates to a pharmaceutical composition containing a compound represented by the formula: wherein R is an aliphatic hydrocarbon group, an aromatic hydrocarbon group, a heterocyclic group, a group represented by the formula: -OR1 (wherein R1 is H or an aliphatic hydrocarbon group) or a group represented by the formula -N(R1b)(R1c) (wherein R1b is H or an aliphatic hydrocarbon group and R1c is H or an aliphatic hydrocarbon group), R0 is H or an aliphatic hydrocarbon group, or R and R0 in combination represent a bond, ring A1 is a cycloalkene optionally substituted by 1 to 4 substituents selected from (1) an aliphatic hydrocarbon group, (2) an aromatic hydrocarbon group, (3) a group represented by the formula: -OR1 (wherein R1 is as defined above) and (4) a halogen atom, Ar is an aromatic hydrocarbon group optionally having substituents, a group represented by the formula: represents a group represented by the formula: or and n is an integer of 1 to 4, a salt thereof or a prodrug thereof, and a nonionic surfactant and/or a cyclodextrin derivative readily soluble in water, and a method for improving solubility, stability or coloring property of the compound, a salt thereof or a prodrug thereof.

  本发明涉及一种药物组合物，该药物组合物含有由式表示的化合物： 其中 R 是脂肪烃基、芳香烃基、杂环基、由式表示的基团：-OR1（其中 R1 为 H 或脂肪族烃基）或由式-N(R1b)(R1c)代表的基团（其中 R1b 为 H 或脂肪族烃基，R1c 为 H 或脂肪族烃基）， R0 为 H 或脂肪族烃基、或 R 和 R0 合在一起代表键，环 A1 是被 1 至 4 个可选取代基取代的环烷烃，这些取代基可 选自 (1) 脂肪族烃基；(2) 芳香族烃基；(3) 由式表示的基团：(3)由式：-OR1（其中 R1 如上定义）和(4)卤素原子代表的基团，Ar 是可选具有取代基的芳香烃基团，由式：-OR1（其中 R1 如上定义）和(5)卤素原子代表的基团： 代表由式 或 和 n 为 1 至 4 的整数的基团，其盐或其原药，以及一种非离子表面活性剂和/或一种易溶于水的环糊精衍生物，以及一种改善该化合物、其盐或其原药的溶解性、稳定性或着色性能的方法。