(5Z)-7-[(1R,2R,3S,5S)-2-(5-Benzenesulfonyloxybenzo[b]thiophen-3-ylcarbonylamino)-10-norpinan-3-yl]-5-heptenoic acid

• 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: (5Z)-7-[(1R,2R,3S,5S)-2-(5-Benzenesulfonyloxybenzo[b]thiophen-3-ylcarbonylamino)-10-norpinan-3-yl]-5-heptenoic acid
• 英文别名: (Z)-7-[(1R,2R,3S,5S)-2-[[5-(benzenesulfonyloxy)-1-benzothiophene-3-carbonyl]amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
• 化学式: C₃₁H₃₅NO₆S₂
• 分子量: 581.754
• InChiKey: UISKANFOIPTIJE-QVLVNBKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Process for preparing benzothiophenecarboxamide derivatives
  申请人：——

  公开号：US20020115871A1

  公开（公告）日：2002-08-22

  A process for preparing a compound having PGD 2 antagonism represented by the formula (I), or a pharmaceutically acceptable salt or hydrate thereof, which process comprises reacting an amino alcohol of the formula (II) or its salt with a compound of the formula (III) or its reactive derivative, oxidizing the product with halo oxoacid in the presence of 2,2,6,6-tetramethylpiperidine-1-oxyls, reacting the product with an ylide under the conditions for Wittig reaction, and optionally deprotecting the product. 1

  一种制备具有PGD2拮抗作用的化合物（I）或其药学上可接受的盐或水合物的方法，该方法包括将式（II）的氨基醇或其盐与式（III）的化合物或其反应衍生物反应，以2,2,6,6-四甲基哌啶-1-氧自由基的存在下，用卤代氧酸氧化产物，将产物在Wittig反应条件下与叶立德反应，然后可选择性去保护产物。
• PROCESS FOR PRODUCING 5-HYDROXYBENZO b]THIOPHENE-3-CARBOXYLIC ACID DERIVATIVES
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1069122A1

  公开（公告）日：2001-01-17

  Benzothiophenecarboxylic acid derivatives of the formula (I) which are useful as starting materials for producing drugs, and a process for preparing 5-hydroxybenzo[b]thiophene-3-carboxylic acid derivatives of the formula (VI) which are specific PGD2 antagonists.

  可用作生产药物起始原料的式 (I) 苯并噻吩羧酸衍生物，以及制备特异性 PGD2 拮抗剂的式 (VI) 5-羟基苯并[b]噻吩-3-羧酸衍生物的工艺。
• NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1193243A1

  公开（公告）日：2002-04-03

  The present invention provides a process for the preparation of a bicyclic aminoalcohol which comprises reacting a starting compound, nopinone (I), with XCH2COOR1 wherein X is halogen, and R1 is alkyl, in the presence of an additive and a base to produce a compound (II), converting it to oxime derivative (III), and reducing it with an aluminum hydride.

  本发明提供了一种制备双环氨基醇的工艺，该工艺包括在添加剂和碱存在下，将起始化合物(Ⅰ)与XCH2COOR1（其中X为卤素，R1为烷基）反应生成化合物(Ⅱ)，将其转化为肟衍生物(Ⅲ)，并用氢化铝将其还原。
• Process for preparing 5-hydroxy[b]thiophene-3-carboxylic acid derivatives
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1528060A1

  公开（公告）日：2005-05-04

  Benzothiophenecarboxylic acid derivatives of the formula (I) which are useful as starting materials for producing drugs, and a process for preparing 5-hydroxybenzo[b]thiophene-3-carboxylic acid derivatives of the formula (VI) which are specific PGD2 antagonists.

  可用作生产药物起始原料的式 (I) 苯并噻吩羧酸衍生物，以及制备特异性 PGD2 拮抗剂的式 (VI) 5-羟基苯并[b]噻吩-3-羧酸衍生物的工艺。
• Novel processes for the preparation of bicyclic aminoalcohols
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1808427A2

  公开（公告）日：2007-07-18

  The present invention provides a process for the preparation of a bicyclic aminoalcohol which comprises reacting a starting compound, nopinone (I), with XCH2COOR1 wherein X is halogen, and R1 is alkyl, in the presence of an additive and a base to produce a compound (II), converting it to oxime derivative (III), and reducing it with an aluminum hydride.

  本发明提供了一种制备双环氨基醇的工艺，该工艺包括在添加剂和碱存在下，将起始化合物(Ⅰ)与XCH2COOR1（其中X为卤素，R1为烷基）反应生成化合物(Ⅱ)，将其转化为肟衍生物(Ⅲ)，并用氢化铝将其还原。