(3Ar,7ar)-八氢-2-[1-亚氨基-2-(2-甲氧基苯基)乙基]-7,7-二苯基-4H-异吲哚-4-酮 | 135911-02-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (3Ar,7ar)-八氢-2-[1-亚氨基-2-(2-甲氧基苯基)乙基]-7,7-二苯基-4H-异吲哚-4-酮
• 英文名称: 7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one
• 英文别名: (3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
• CAS: 135911-02-3
• 化学式: C₂₉H₃₀N₂O₂
• mdl: MFCD00903364
• 分子量: 438.6
• InChiKey: VWBOQFANCXZMAU-LOSJGSFVSA-N

物化性质

• 溶解度：
  在乙醇中溶解度为 100 mM，在 DMSO 中溶解度为 50 mM

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  、 (3aR,7aR)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-one 在 作用下， 生成 (3Ar,7ar)-八氢-2-[1-亚氨基-2-(2-甲氧基苯基)乙基]-7,7-二苯基-4H-异吲哚-4-酮
  参考文献：
  名称：

  Bioorg. Med. Chem. Lett. 1992, 2, 37-40

  摘要：

  DOI：

文献信息

• Isoindolone derivatives, their preparation and the pharmaceutical
  申请人：Rhone-Poulenc Sante

  公开号：US05102667A1

  公开（公告）日：1992-04-07

  This invention relates to isoindolone derivatives of general formula (I) in which the radicals R are hydrogen atoms or together form a bond, the symbols R' are phenyl radicals which can be substituted by a halogen atom or a methyl radical in position 2 or 3, X is an oxygen or sulphur atom or a radical N--R.sub.3, R.sub.3 being H, optionally substituted alkyl or dialkylamino, R.sub.1 is optionally substituted phenyl or cyclohexadienyl, naphthyl or a heterocycle and R.sub.2 is H, halogen, OH, alkyl, amionoalkyl, alkylaminoalkyl, dialkylaminoalkyl, alkoxy, alkylthio, acyloxy, carboxyl, optionally substituted alkoxycarbonyl, benzyloxycarbonyl, amino or acylamino, in their (3aR,7aR) forms or in the (3aRS,7aRS) form or their mixtures, and if appropriate their salts where such exist, and their preparation. The new derivatives according to the invention are particularly valuable as antagonists of substance P. ##STR1##

  本发明涉及一般式（I）的异吲哚酮衍生物，其中基团R是氢原子或共同形成键，符号R'是苯基基团，可以在2或3位被卤素原子或甲基基团取代，X是氧原子或硫原子或基团N-R3，R3是H，可选取代的烷基或二烷基氨基，R1是可选取代的苯基或环己二烯基，萘基或杂环基，R2是H，卤素，OH，烷基，氨基烷基，烷基氨基烷基，二烷基氨基烷基，烷氧基，烷硫基，酰氧基，羧基，可选取代的烷氧羰基，苄氧羰基，氨基或酰胺基，在其（3aR,7aR）形式或（3aRS,7aRS）形式或其混合物中，以及必要时其盐（如果存在）及其制备方法。根据本发明的新衍生物在作为物质P的拮抗剂方面具有特别的价值。
• Isoindolone derivatives
  申请人：Rhone-Poulenc Sante

  公开号：US05112988A1

  公开（公告）日：1992-05-12

  New isoindolone derivatives of general formula (I) are ##STR1## disclosed in which the radicals R represent hydrogen atoms or, together, form a bond, the symbol R' represents a hydrogen atom or a readily removable radical and the symbols R" are identical and represent phenyl radicals which can be substituted with a halogen atom or a methyl radical at the ortho or meta position, in the (3aR, 7aR) form or in the form of a mixture of the (3aRS, 7aRS) forms, as well as their salts. These derivatives are useful as intermediates for the preparation of therapeutically active products.

  公式（I）的新异吲哚酮衍生物如下：##STR1## 其中基团R代表氢原子或一起形成键，符号R'代表氢原子或可轻松去除的基团，符号R"相同，代表苯基，可以在邻位或间位用卤原子或甲基基团取代，以（3aR，7aR）形式或（3aRS，7aRS）形式的混合物形式存在，以及它们的盐。这些衍生物可用作制备治疗活性产品的中间体。
• Methods and compositions for treating vasomotor symptoms
  申请人：UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION

  公开号：US11083726B2

  公开（公告）日：2021-08-10

  The present disclosure is generally directed to compositions and methods for treating or limiting development of vasomotor symptoms in a subject.

  本公开总体上涉及用于治疗或限制受试者血管运动症状发展的组合物和方法。
• USE OF ANGIOGENESIS SUPPRESSORS FOR INHIBITING HAIR GROWTH
  申请人：The Gillette Company

  公开号：EP0812185B1

  公开（公告）日：2002-07-03
• SUTURES AND ANTI-SCARRING AGENTS
  申请人：Angiotech Pharmaceuticals, Inc.

  公开号：EP1978930A2

  公开（公告）日：2008-10-15