Methyl 7-[2-Benzylthiocarbamoyloxymethyl-3,5-bis(tetrahydropyran-2-yloxy)cyclopentyl]hept-5-enoate | 360790-61-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Methyl 7-[2-Benzylthiocarbamoyloxymethyl-3,5-bis(tetrahydropyran-2-yloxy)cyclopentyl]hept-5-enoate
• 英文别名: methyl 7-[2-(benzylcarbamothioyloxymethyl)-3,5-bis(oxan-2-yloxy)cyclopentyl]hept-5-enoate
• CAS: 360790-61-0
• 化学式: C₃₂H₄₇NO₇S
• 分子量: 589.794
• InChiKey: PUNMGTNGFINRLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  41
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl 7-[3,5-Dihydroxy-2-phenylcarbamoyloxymethylcyclopentyl]hept-5-enoate 、 Methyl 7-[2-Benzylthiocarbamoyloxymethyl-3,5-bis(tetrahydropyran-2-yloxy)cyclopentyl]hept-5-enoate 、 4-甲基苯磺酸吡啶 以afforded 246.4 mg (91%) of the title compound的产率得到Methyl 7-[2-Benzylthiocarbamoyloxymethyl-3,5-dihydroxycyclopentyl]hept-5-enoate
  参考文献：
  名称：

  Cyclopentane heptan(ENE)oic acid, 2-thiocarbamoyloxy and 2-carbamoyloxy compounds as therapeutic agents

  摘要：

  本发明涉及环戊烷庚烯酸、2-硫代氨基甲酰氧基和氨基甲酰氧基的用途，例如作为眼压降低剂的治疗剂。根据本发明所使用的化合物由下式I表示：其中波浪线段表示α（&agr;）或β（&bgr;）构型；虚线键表示双键或单键；Ar选自具有4至10个碳原子和其取代衍生物的芳基或杂芳基基团的群体；n为0或1至4的整数；x和y为1或0，但当x为1时，y为0，当x为0时，y为1；R1为氢或具有高达六个碳原子的低级烷基基团或取代的低级烷基基团；X选自—OR1和—N（R1）2的群体；Y为═O或表示2个氢基团，以及其9和/或11酯和/或所述化合物和/或酯的药学上可接受的盐。

  公开号：

  US06291522B1

文献信息

• CYCLOPENTANE HEPTAN(ENE)OIC ACID, 2-THIOCARBAMOYLOXY AND 2-CARBAMOYLOXY COMPOUNDS AS THERAPEUTIC AGENTS
  申请人：ALLERGAN SALES, INC.

  公开号：US20020058692A1

  公开（公告）日：2002-05-16

  The invention relates to the use of cyclopentane heptan(ene)oic acid, 2-thiocarbamoyloxy and carbamoyloxy as therapeutic agents e.g. as ocular hypotensives. The compounds used in accordance with the invention are represented by the following formula I: 1 wherein a wavy segments indicate either the alpha (&agr;) or beta (&bgr;) configuration; the dashed bond represents a double bond or a single bond; Ar is selected from the group consisting of aryl or heteroaryl radicals having from 4 to 10 carbon atoms and substituted derivatives of said aryl and heteroaryl radicals; n is 0 or an integer of from 1 to 4; x and y are 1 or 0, provided that when x is 1, y is 0 and when x is 0, y is 1; R 1 is hydrogen or a lower alkyl radical or a substituted lower alkyl radical having up to six carbon atoms; X is selected from the group consisting of —OR 1 and —N(R 1 )2; Y is ═O or represents 2 hydrogen radicals, and the 9 and/or 11 esters thereof and/or the pharmaceutically acceptable salts of said compounds and/or esters.

  本发明涉及环戊烷庚烯酸、2-硫代氨基甲酰氧基和氨基甲酰氧基等化合物作为治疗剂，例如作为眼压降低剂。根据本发明所使用的化合物由以下式子I表示：其中波浪线段表示α(&agr;)或β(&bgr;)构型；虚线键表示双键或单键；Ar选自具有4至10个碳原子和其取代衍生物的芳基或杂芳基基团组成的群体；n为0或1至4的整数；x和y为1或0，但当x为1时，y为0，当x为0时，y为1；R1为氢或具有最多六个碳原子的低级烷基基团或取代的低级烷基基团；X选自—OR1和—N(R1)2的群体；Y为═O或表示2个氢基团，以及它们的9和/或11酯和/或所述化合物和/或酯的药学上可接受的盐。
• Cyclopentane heptan(ene)oic acid, 2-thiocarbamoyloxy and 2-carbamoyloxy compounds as therapeutic agents
  申请人：Allergan Sales, Inc.

  公开号：US06380251B1

  公开（公告）日：2002-04-30

  The invention relates to the use of cyclopentane heptan(ene)oic acid, 2-thiocarbamoyloxy and carbamoyloxy as therapeutic agents e.g. as ocular hypotensives. The compounds used in accordance with the invention are represented by the following formula I: wherein a wavy segments indicate either the alpha (&agr;) or beta (&bgr;) configuration; the dashed bond represents a double bond or a single bond; Ar is selected from the group consisting of aryl or heteroaryl radicals having from 4 to 10 carbon atoms and substituted derivatives of said aryl and heteroaryl radicals; n is 0 or an integer of from 1 to 4; x and y are 1 or 0, provided that when x is 1, y is 0 and when x is 0, y is 1; R1 is hydrogen or a lower alkyl radical or a substituted lower alkyl radical having up to six carbon atoms; X is selected from the group consisting of —OR1 and —N(R1)2; Y is ═O or represents 2 hydrogen radicals, and the 9 and/or 11 esters thereof and/or the pharmaceutically acceptable salts of said compounds and/or esters.

  本发明涉及环戊烷庚烯酸、2-硫代氨基甲酰氧基和氨基甲酰氧基作为治疗剂，例如作为眼压降低剂。根据本发明使用的化合物由以下公式I表示：其中波浪线段表示α（&agr;）或β（&bgr;）构型；虚线键表示双键或单键；Ar选自含有4至10个碳原子的芳基或杂环芳基基团和其取代衍生物的群体；n为0或1至4的整数；x和y为1或0，当x为1时，y为0，当x为0时，y为1；R1为氢或具有最多六个碳原子的低烷基基团或取代的低烷基基团；X选自—OR1和—N（R1）2的群体；Y为═O或表示2个氢基团，以及它们的9和/或11酯和/或所述化合物和/或酯的药学上可接受的盐。