8-(2'-(N-benzylphenylcarbamoylmethoxy)ethyl)-cis-bicyclo[4,3,0]nona-3-ene

• 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: 8-(2'-(N-benzylphenylcarbamoylmethoxy)ethyl)-cis-bicyclo[4,3,0]nona-3-ene
• 英文别名: 2-[2-[(3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-inden-2-yl]ethoxy]-N-benzyl-N-phenylacetamide
• 化学式: C₂₆H₃₁NO₂
• 分子量: 389.538
• InChiKey: JZQFZURTNYSZHF-CWAQXLGLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  8-(2'-(N-benzylphenylcarbamoylmethoxy)ethyl)-cis-bicyclo[4,3,0]nona-3-ene 生成 2-[2-[(3aR,4S,5S,6aR)-4-formyl-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]-N-benzyl-N-phenylacetamide
  参考文献：
  名称：

  MURAOKA, MASAMI;NAKAMURA, TOSHIO;SUGIE, AKIHIKO;ONO, KEIICHI;YAMAMOTO, MI+

  摘要：

  DOI：
• 作为产物：
  描述：

  8-(2'-hydroxyethyl)-cis-bicyclo[4,3,0]nona-3-ene 生成 8-(2'-(N-benzylphenylcarbamoylmethoxy)ethyl)-cis-bicyclo[4,3,0]nona-3-ene
  参考文献：
  名称：

  MURAOKA, MASAMI;NAKAMURA, TOSHIO;SUGIE, AKIHIKO;ONO, KEIICHI;YAMAMOTO, MI+

  摘要：

  DOI：

文献信息

• Carbacyclin analogs
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04680307A1

  公开（公告）日：1987-07-14

  A compound of the formula: ##STR1## wherein X.sup.1 is a free or an esterified carboxyl group, or a group of the formula: ##STR2## (R.sup.a and R.sup.b are each independently a hydrogen atom, a C.sub.1 -C.sub.4 alkyl group, a C.sub.3 -C.sub.7 cycloalkyl group, a benzyl group, a phenyl group, a phenyl group substituted with a halogen atom or a C.sub.1 -C.sub.4 alkyl group, or, when taken together with the adjacent nitrogen atom to which they are attached, they represent a 5 to 7 membered saturated heterocyclic group, Y.sup.1 is a group of the formula: ##STR3## (R.sup.6 is a hydrogen atom or C.sub.1 -C.sub.4 alkyl group), ##STR4## (R.sup.6 is as defined above), ##STR5## R.sup.1 is a hydrogen atom, a hydroxyl group or a protected hydroxyl group, R.sup.2 is a hydrogen atom or R.sup.1 and R.sup.2, when taken together, mean a shingle linkage to from a double bond between the carbon atoms which they are linked, R.sup.3 is a hydroxyl group or a protected hydroxyl group, R.sup.4 is a hydrogen atom or a C.sub.1 -C.sub.4 alkyl group, R.sup.5 is a hydrogen atom, a C.sub.1 -C.sub.12 alkyl group, a C.sub.2 -C.sub.12 alkenyl group, a C.sub.2 -C.sub.12 alkynyl group, a C.sub.3 -C.sub.10 cycloalkyl group, a C.sub.4 -C.sub.10 cycloalkenyl group, a hydroxy C.sub.1 -C.sub.12 alkyl group, a C.sub.3 -C.sub.10 heterocyclic group, a phenyl group optionally substituted with a halogen atom; a hydroxyl group, a C.sub.1 -C.sub.4 alkyl group, a trifluoromethyl group, or a C.sub.1 -C.sub.4 alkyl group or a formula: A-B (A is a C.sub.1 -C.sub.7 alkylene chain and B is a C.sub.3 -C.sub.10 cycloalkyl group, a C.sub.4 -C.sub.10 cycloalkenyl group, a C.sub.1 -C.sub.12 alkoxy group, a C.sub.3 -C.sub.10 cycloalkoxy group, a C.sub.4 -C.sub.10 cycloalkenyloxy group, a C.sub.3 -C.sub.10 heterocyclic group, or a phenyl or phenoxy group optionally substituted with a halogen atom, a hydroxy group, a C.sub.1 -C.sub.4 alkyl group, a trifluoromethyl group or a C.sub.1 -C.sub.4 alkoxy group); or a non-toxic pharmaceutically acceptable salt thereof. Said compound have strong anti-ulcerous action or antithrombotic action, and are useful in treatment of ulcer or thrombosis.

  一种化合物的公式：##STR1## 其中X.sup.1是自由的或酯化的羧基，或者是公式：##STR2## (R.sup.a和R.sup.b各自独立地是氢原子，C.sub.1-C.sub.4烷基，C.sub.3-C.sub.7环烷基，苄基，苯基，取代有卤素原子或C.sub.1-C.sub.4烷基的苯基，或者与它们相邻的氮原子一起取代一个5至7个成员的饱和杂环基团，Y.sup.1是公式：##STR3## (R.sup.6是氢原子或C.sub.1-C.sub.4烷基)，##STR4## (R.sup.6如上所定义)，##STR5## R.sup.1是氢原子，羟基或保护羟基，R.sup.2是氢原子或R.sup.1和R.sup.2当一起取代时，它们意味着在它们连接的碳原子之间形成一个双键，R.sup.3是羟基或保护羟基，R.sup.4是氢原子或C.sub.1-C.sub.4烷基，R.sup.5是氢原子，C.sub.1-C.sub.12烷基，C.sub.2-C.sub.12烯基，C.sub.2-C.sub.12炔基，C.sub.3-C.sub.10环烷基，C.sub.4-C.sub.10环烯基，羟基C.sub.1-C.sub.12烷基，C.sub.3-C.sub.10杂环基，苯基，可选地取代有卤素原子的苯基，羟基，C.sub.1-C.sub.4烷基，三氟甲基基团，或者是公式：A-B（A是C.sub.1-C.sub.7烷基链，B是C.sub.3-C.sub.10环烷基，C.sub.4-C.sub.10环烯基，C.sub.1-C.sub.12烷氧基，C.sub.3-C.sub.10环烷氧基，C.sub.4-C.sub.10环烯氧基，C.sub.3-C.sub.10杂环基，或者是可选地取代有卤素原子，羟基，C.sub.1-C.sub.4烷基，三氟甲基基团或C.sub.1-C.sub.4烷氧基的苯基或苯氧基）；或其无毒药物可接受的盐。该化合物具有强大的抗溃疡作用或抗血栓作用，并且在溃疡或血栓的治疗中有用。
• Bicyclooctane derivatives and their production and use
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0115954B1

  公开（公告）日：1987-08-19
• MURAOKA, MASAMI;NAKAMURA, TOSHIO;SUGIE, AKIHIKO;ONO, KEIICHI;YAMAMOTO, MI+
  作者：MURAOKA, MASAMI、NAKAMURA, TOSHIO、SUGIE, AKIHIKO、ONO, KEIICHI、YAMAMOTO, MI+

  DOI：——

  日期：——
• US4680307A
  申请人：——

  公开号：US4680307A

  公开（公告）日：1987-07-14