6-甲氧基-2,3-二氢-1H-茚-1-甲腈 | 68549-22-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 6-甲氧基-2,3-二氢-1H-茚-1-甲腈
• 英文名称: 6-methoxy-1-cyano-indane
• 英文别名: 6-methoxyindan-1-carbonitrile；6-methoxy-2,3-dihydro-1H-indene-1-carbonitrile；6-Methoxy-indan-1-carbonsaeure
• CAS: 68549-22-4
• 化学式: C₁₁H₁₁NO
• mdl: MFCD11219699
• 分子量: 173.214
• InChiKey: MSRGJIRQQSRJEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  6-甲氧基-2,3-二氢-1H-茚-1-甲腈 生成 6-甲氧基茚烷-1-羧酸
  参考文献：
  名称：

  Indane or dihydroindole derivatives

  摘要：

  本发明涉及式（I）中A为吲哚的取代茚烷或二氢吲哚化合物。这些化合物对D4受体具有高亲和力。

  公开号：

  US06352988B2
• 作为产物：
  描述：

  6-甲氧基茚烷-1-羧酸 在 sodium metabisulfite 、 氯化亚砜 、 氨 、 三氯氧磷 作用下， 生成 6-甲氧基-2,3-二氢-1H-茚-1-甲腈
  参考文献：
  名称：

  Ray; Lahiri, Journal of the Indian Chemical Society, 1990, vol. 67, # 4, p. 324 - 326

  摘要：

  DOI：

文献信息

• MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN
  申请人：AbbVie S.à.r.l.

  公开号：US20170305891A1

  公开（公告）日：2017-10-26

  The present invention provides for compounds of formula (I) wherein R 1 , m, Z, G 1 , R 2 , and R 3 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by CFTR, including cystic fibrosis, Sjögren's syndrome, pancreatic insufficiency, chronic obstructive lung disease, and chronic obstructive airway disease. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  本发明提供了以下式（I）的化合物，其中R1、m、Z、G1、R2和R3具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物可用作治疗由CFTR介导和调节的疾病和症状的药物，包括囊性纤维化、Sjögren综合征、胰腺功能不全、慢性阻塞性肺病和慢性阻塞性气道疾病的药物。还提供了由一个或多个式（I）化合物组成的药物组合物。
• Modulators of cystic fibrosis transmembrane conductance regulator protein
  申请人：AbbVie S.à.r.l.

  公开号：US10118916B2

  公开（公告）日：2018-11-06

  The present invention provides for compounds of formula (I) wherein R1, m, Z, G1, R2, and R3 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by CFTR, including cystic fibrosis, Sjögren's syndrome, pancreatic insufficiency, chronic obstructive lung disease, and chronic obstructive airway disease. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  本发明提供了式 (I) 的化合物 其中 R1、m、Z、G1、R2 和 R3 具有说明书中定义的任一值，及其药学上可接受的盐，可作为治疗由 CFTR 介导和调节的疾病和病症的药物，包括囊性纤维化、Sjögren 综合征、胰腺功能不全、慢性阻塞性肺病和慢性阻塞性气道疾病。还提供了由一种或多种式（I）化合物组成的药物组合物。
• A Direct and Efficient Synthetic Method for Nitriles from Ketones
  作者：Stéphane Kloubert、Monique Mathé-Allainmat、Jean Andrieux、Michel Langlois

  DOI：10.1080/00397910008087438

  日期：2000.8

  Cyclic cyano derivatives 3 were obtained by the reaction of Me3SiCN/ZnI2 with the cyclic ketones 2 which gave the trimethylsilyloxy nitriles 4. They were directly transformed to cyano derivatives 3 (70-80% yield) by the reductive reagent Me3SiCl-NaI in acetonitrile in the presence of H2O.
• Ray; Lahiri, Journal of the Indian Chemical Society, 1991, vol. 68, # 10, p. 549 - 555
  作者：Ray、Lahiri

  DOI：——

  日期：——
• Synthesis of benzocycloalkane derivatives as new conformationally restricted ligands for melatonin receptors
  作者：S. Kloubert、M. Mathé-Allainmat、J. Andrieux、S. Sicsic、M. Langlois

  DOI：10.1016/s0960-894x(98)00601-5

  日期：1998.12

  Benzocycloalkane derivatives 1-4 were synthesized as new conformationally restricted melatoninergic ligands. They were prepared by rite reaction of the ketones 5 with diethylcyanophosphonate and the reduction of the corresponding cyano compounds or by the Wittig reaction and Curtius degradation to obtain the amines 8. The 1-Cyanobenzocyclobutane derivative was obtained by the benzyne cyclisation reaction. The amines 8 were acylated with acetyl, propionyl or butyryl groups. The affinity of the compounds for chicken brain melatonin receptors was evaluated using 2-[I-125]-iodomelatonin as the radioligand The indanyl (2b,c) tetralin (3a-c) and benzocycloheptane (4c) derivatives were potent compounds with nanomolar affinity and an important enantioselectivity of the receptor was observed with the (+) enantiomers 2b and 3b. (C) 1998 Elsevier Science Ltd. All rights reserved.