4-(ethoxycarbonyl)-5,6-dihydro-2H-pyran-3-sulfonic acid | 324767-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 4-(ethoxycarbonyl)-5,6-dihydro-2H-pyran-3-sulfonic acid
• 英文别名: 4-ethoxycarbonyl-3,6-dihydro-2H-pyran-5-sulfonic acid
• CAS: 324767-94-4
• 化学式: C₈H₁₂O₆S
• 分子量: 236.246
• InChiKey: AIWONFNJUNPYIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  98.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(ethoxycarbonyl)-5,6-dihydro-2H-pyran-3-sulfonic acid 以 氯化亚砜 、 乙酸乙酯 为溶剂， 生成 ethyl 5-(chlorosulfonyl)-3,6-dihydro-2H-pyran-4-carboxylate
  参考文献：
  名称：

  SUBSTITUTED AROMATIC-RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND USE

  摘要：

  公开号：

  EP1209149B9
• 作为产物：
  描述：

  ethyl 5-sulfanyl-3,6-dihydro-2H-pyran-4-carboxylate 在 sodium perborate 、 溶剂黄146 作用下， 反应 5.0h， 生成 4-(ethoxycarbonyl)-5,6-dihydro-2H-pyran-3-sulfonic acid
  参考文献：
  名称：

  EP1875926

  摘要：

  公开号：

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。
• Substituted aromatic-ring compounds, process for producing the same and use
  申请人：Tamura Norikazu

  公开号：US20050176783A1

  公开（公告）日：2005-08-11

  A compound of the formula: wherein R 1 is an aliphatic hydrocarbon group optionally having substituent(s), an aromatic hydrocarbon group optionally having substituent(s), a heterocyclic group optionally having substituent(s), a group of the formula: OR 1a wherein R 1a is a hydrogen atom or an aliphatic hydrocarbon group optionally having substituent(s), or a group of the formula: wherein R 1b and R 1c are the same or different and each is a hydrogen atom or an aliphatic hydrocarbon group optionally having substituent(s), X is a methylene group, a nitrogen atom, a sulfur atom or an oxygen atom, Y is an optionally substituted methylene group or an optionally substituted nitrogen atom, ring A is a 5 to 8-membered ring optionally substituted further by 1 to 4 substituent(s) selected from (1) an aliphatic hydrocarbon group optionally having substituent(s), (2) an aromatic hydrocarbon group optionally having substituent(s), (3) a group of the formula: OR 2 wherein R 2 is a hydrogen atom, or an aliphatic hydrocarbon group optionally having substituent(s) and (4) a halogen atom, Ar is an aromatic hydrocarbon group optionally having substituent(s), a group of the formula: is a group of the formula: or the formula: m is an integer of 0 to 2, n is an integer of 1 to 3, and the sum of m and n is not more than 4, provided that when X is a methylene group, Y is an optionally substituted methylene group, and a salt thereof have an inhibitory activity on nitric oxide (NO) production and cytokine production, and are useful as an agent for the prophylaxis and/or treatment of diseases, such as cardiac disease, autoimmune disease, inflammatory disease, central nervous system disease, infectious disease, sepsis, septic shock and the like.

  一种化合物的公式：其中R1是一个脂肪烃基，可以选择地具有取代基，或是一个芳香烃基，可以选择地具有取代基，或是一个杂环基，可以选择地具有取代基，或是一个公式为OR1a的基团，其中R1a是氢原子或是一个脂肪烃基，可以选择地具有取代基，或是一个公式为的基团，其中R1b和R1c相同或不同，且每个都是氢原子或是一个脂肪烃基，可以选择地具有取代基，X是一个亚甲基基团、氮原子、硫原子或是氧原子，Y是一个可以选择地具有取代基的亚甲基基团或是一个可以选择地具有取代基的氮原子，环A是一个5到8成员环，可以选择地进一步被1到4个取代基所取代，所述取代基被选择自(1)一个脂肪烃基，可以选择地具有取代基，(2)一个芳香烃基，可以选择地具有取代基，(3)一个公式为OR2的基团，其中R2是一个氢原子或是一个脂肪烃基，可以选择地具有取代基，以及(4)一个卤原子，Ar是一个芳香烃基，可以选择地具有取代基，一个公式为的基团，或是一个公式为的基团，其中m是0到2的整数，n是1到3的整数，且m和n的和不超过4，当X是一个亚甲基基团，Y是一个可以选择地具有取代基的亚甲基基团时，该化合物及其盐具有一种抑制一氧化氮（NO）产生和细胞因子产生的活性，可用作预防和/或治疗疾病的药剂，例如心脏疾病、自身免疫性疾病、炎症性疾病、中枢神经系统疾病、传染病、败血症、脓毒性休克等。
• 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。
• Substituted aromatic-ring compounds, process for producing the same, and use
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07078540B1

  公开（公告）日：2006-07-18

  A compound of the formula: wherein R1 is an aliphatic hydrocarbon group optionally having substituent(s), an aromatic hydrocarbon group optionally having substituent(s), a heterocyclic group optionally having substituent(s), a group of the formula: OR1a wherein R1a is a hydrogen atom or an aliphatic hydrocarbon group optionally having substituent(s), or a group of the formula: wherein R1b and R1c are the same or different and each is a hydrogen atom or an aliphatic hydrocarbon group optionally having substituent(s), X is a methylene group, a nitrogen atom, a sulfur atom or an oxygen atom, Y is an optionally substituted methylene group or an optionally substituted nitrogen atom, ring A is a 5 to 8-membered ring optionally substituted further by 1 to 4 substituent(s) selected from (1) an aliphatic hydrocarbon group optionally having substituent(s), (2) an aromatic hydrocarbon group optionally having substituent(s), (3) a group of the formula: OR2 wherein R2 is a hydrogen atom, or an aliphatic hydrocarbon group optionally having substituent(s) and (4) a halogen atom, Ar is an aromatic hydrocarbon group optionally having substituent(s), a group of the formula: is a group of the formula: or the formula: m is an integer of 0 to 2, n is an integer of 1 to 3, and the sum of m and n is not more than 4, provided that when X is a methylene group, Y is an optionally substituted methylene group, and a salt thereof have an inhibitory activity on nitric oxide (NO) production and cytokine production, and are useful as an agent for the prophylaxis and/or treatment of diseases, such as cardiac disease, autoimmune disease, inflammatory disease, central nervous system disease, infectious disease, sepsis, septic shock and the like.

  该化合物的化学式为：其中R1是一个脂肪烃基，可选择地带有取代基，芳香族烃基，可选择地带有取代基，杂环基，可选择地带有取代基，公式为：OR1a的基团，其中R1a是氢原子或脂肪烃基，可选择地带有取代基，或公式为：其中R1b和R1c相同或不同，每个都是氢原子或脂肪烃基，可选择地带有取代基，X是亚甲基基团，氮原子，硫原子或氧原子，Y是可选择地取代的亚甲基基团或可选择地取代的氮原子，环A是一个5至8成员环，可选择地进一步取代1至4个取代基，所选的取代基包括（1）可选择地带有取代基的脂肪烃基，（2）可选择地带有取代基的芳香族烃基，（3）公式为：OR2的基团，其中R2是氢原子或可选择地带有取代基的脂肪烃基，以及（4）卤素原子，Ar是可选择地带有取代基的芳香族烃基，公式为：是公式为：或公式为：m是0至2的整数，n是1至3的整数，m和n的总和不超过4，当X是亚甲基基团，Y是可选择地取代的亚甲基基团时，其盐对一氧化氮（NO）和细胞因子的生成具有抑制作用，并且可用作预防和/或治疗心脏疾病，自身免疫性疾病，炎症性疾病，中枢神经系统疾病，传染病，败血症，脓毒症等疾病的药物。