1-氮杂环辛烷e甲醛 | 5661-91-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1-氮杂环辛烷e甲醛
• 英文名称: N-formylperhydroazocine
• 英文别名: 1-formylperhydroazocine；N-formylazacyclooctan；azocane-1-carbaldehyde；1-formyl-octahydro-azocine；1-Formyl-octahydro-azocin
• CAS: 5661-91-6
• 化学式: C₈H₁₅NO
• 分子量: 141.213
• InChiKey: VBHMYLNKBKBGJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-氮杂环辛烷e甲醛 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 N-Methyl-heptamethylenimin
  参考文献：
  名称：

  The Preparation of Basic Alcohols and Basic Alkyl Chlorides which Contain a 1-Hexa-,1-Hepta- or 1-Octamethylenimino Radical

  摘要：

  DOI：

  10.1021/ja01638a011
• 作为产物：
  描述：

  七亚甲基亚胺 在 sodium hydroxide 、 sodium persulfate 、 silver nitrate 作用下， 以 ammonium hydroxide 、 水 为溶剂， 反应 7.0h， 以1%的产率得到1-氮杂环辛烷e甲醛
  参考文献：
  名称：

  Ogawa, Keiichiro; Nomura, Yujiro; Takeuchi, Yoshito, Journal of the Chemical Society. Perkin transactions I, 1982, # 12, p. 3031 - 3036

  摘要：

  DOI：

文献信息

• 1,2-Di(cyclic)substituted benzene compounds
  申请人：Kawahara Tetsuya

  公开号：US20050261291A1

  公开（公告）日：2005-11-24

  In one aspect, the present invention provides compounds having formula (1) or (100), a salt thereof or a hydrate of the foregoing, which compounds exhibit excellent cell adhesion inhibitory action or cell infiltration inhibitory action, and are useful as therapeutic or prophylactic agents for various inflammatory diseases and autoimmune diseases associated with adhesion and infiltration of leukocytes, such as inflammatory bowel disease (particularly ulcerative colitis or Crohn's disease), irritable bowel syndrome; rheumatoid arthritis, psoriasis, multiple sclerosis, asthma and atopic dermatitis. wherein R10 represents optionally substituted cycloalkyl, etc., R20-23 represent hydrogen, alkyl, alkoxy, etc., R30-32 represent hydrogen, alkyl, oxo, etc., and R40 represents optionally substituted alkyl, etc.

  在一个方面，本发明提供具有式（1）或（100）的化合物，其盐或前述的水合物，这些化合物表现出优异的细胞粘附抑制作用或细胞浸润抑制作用，并且可用作治疗或预防与白细胞粘附和浸润相关的各种炎症性疾病和自身免疫疾病的药物，例如炎症性肠病（尤其是溃疡性结肠炎或克罗恩病）、肠易激综合征；类风湿性关节炎、牛皮癣、多发性硬化、哮喘和特应性皮炎。 其中R10代表可选择地取代的环烷基等，R20-23代表氢、烷基、烷氧基等，R30-32代表氢、烷基、氧代基等，R40代表可选择地取代的烷基等。
• [EN] INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER<br/>[FR] DÉRIVÉ D'INDOLE ET USAGE POUR LE TRAITEMENT DU CANCER
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005118587A1

  公开（公告）日：2005-12-15

  The present invention relates to a compound represented by the formula (I’) wherein A is a benzene ring optionally having substituents, R1, R2a and R3 are each a hydrogen atom, a hydrocarbon group optionally having substituents or a heterocyclic group optionally having substituents, R1 and R2a may form a ring via X, when R1 and R2a form a ring via X, R1 and R2a are each a bond or a divalent C1-5 acyclic hydrocarbon group optionally having substituents, and X is a bond, an oxygen atom, an optionally oxidized sulfur atom or an imino group optionally having a substituent, provided that R1, R2a and X are not bonds at the same time, or a salt thereof, and an agent for inhibiting kinase (phosphorylation enzyme), which contains this compound or a prodrug thereof. The compound of the present invention has an inhibitory activity against kinase such as a vascular endothelial growth factor receptor (VEGFR) and the like, and is useful as an agent for the prophylaxis or threatment of cancer and the like.

  本发明涉及一种由式(I')表示的化合物，其中A是一个苯环，可选地具有取代基，R1、R2a和R3分别是氢原子，可选地具有取代基的碳氢基团或可选地具有取代基的杂环基团，R1和R2a可以通过X形成环，当R1和R2a通过X形成环时，R1和R2a分别是键或可选地具有取代基的二价C1-5非环烃基团，X是键，氧原子，可选地氧化的硫原子或可选地具有取代基的亚胺基团，前提是R1、R2a和X不同时为键，或其盐，以及含有该化合物或其前药的抑制激酶（磷酸化酶）的药剂。本发明的化合物对激酶如血管内皮生长因子受体（VEGFR）等具有抑制活性，并可用作预防或治疗癌症等疾病的药剂。
• Pyridazinone compounds
  申请人：Taniguchi Takahiko

  公开号：US20100197651A1

  公开（公告）日：2010-08-05

  The present invention provides a compound which has the effect of PDE inhibition, and which is useful as a medicament for preventing or treating schizophrenia or so on. A compound of formula (I 0 ): wherein R 1 represents a substituent, R 2 represents a hydrogen atom, or a substituent, R 3 represents a hydrogen atom, or a substituent, Ring A represents an aromatic ring which can be substituted, and Ring B represents a 5-membered heteroaromatic ring which can be substituted, or a salt thereof.

  本发明提供了一种具有PDE抑制作用并且用作预防或治疗精神分裂症等病症的药物的化合物。该化合物的公式为(I0)：其中，R1代表一个取代基，R2代表一个氢原子或一个取代基，R3代表一个氢原子或一个取代基，环A代表一个可被取代的芳香环，而环B代表一个可被取代的5元杂芳环，或其盐。
• Copper-diphosphine complex catalysts for N-formylation of amines under 1 atm of carbon dioxide with polymethylhydrosiloxane
  作者：Ken Motokura、Naoki Takahashi、Daiki Kashiwame、Sho Yamaguchi、Akimitsu Miyaji、Toshihide Baba

  DOI：10.1039/c3cy00375b

  日期：——

  as compared to a bidentate ligand connected with a propyl chain and a monodentate ligand. Among these diphosphines, ligands with alkyl functionalities, such as isopropyl and cyclohexyl groups, produced better results than the phenyl group. Not only cyclic secondary amines, but also linear secondary amines and aromatic and aliphatic primary amines were found to be reactive substrates. In the case of

  在1个大气压的CO 2下，使用铜-二膦配合物作为均相催化剂与聚甲基氢硅氧烷（PMHS）进行多种胺的N-甲酰化反应。在反应中哌啶，例如，营业额（TON）在23小时内达到11700，甲酰化产物的收率为90％。该TON值远远高于已报道的催化剂，该催化剂用于在1个大气压的CO 2下用氢硅烷对胺进行甲酰化。与与丙基链连接的二齿配体和单齿配体相比，具有邻亚苯基结构的膦的Cu配合物充当了甲酰化的良好配体。在这些二膦中，具有烷基官能团的配体，例如异丙基和环己基，比苯基产生更好的结果。发现不仅环状仲胺，而且线性仲胺以及芳族和脂族伯胺也是反应性底物。如果是2,2,6,6-四甲基哌啶-4-胺，甲酰化区域选择性地进行。使用[Me 2 NCO 2 ] [Me 2 NH 2 ]从另一个实验中提出了催化反应途径。
• HETEROCYCLIC COMPOUND
  申请人：Yoshikawa Masato

  公开号：US20130150344A1

  公开（公告）日：2013-06-13

  The present invention provides a compound represented by the formula (1): wherein each symbol is as defined in the specification, or a salt thereof, a prodrug of the compound or a salt thereof, a medicament containing the compound or a salt thereof, the medicament which is a phosphodiesterase 10A inhibitor, and a medicament which is for preventing or treating schizophrenia.

  本发明提供了一种由以下式（1）表示的化合物： 其中每个符号如规范中定义，或其盐，该化合物的前药或其盐，含有该化合物或其盐的药物，该药物是磷酸二酯酶10A抑制剂，以及用于预防或治疗精神分裂症的药物。