7-Amino-4-thiaheptanonitril | 16496-87-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 7-Amino-4-thiaheptanonitril
• 英文别名: 3(3-Aminopropylthio)propionitril；3-(3-Aminopropylsulfanyl)propanenitrile
• CAS: 16496-87-0
• 化学式: C₆H₁₂N₂S
• 分子量: 144.241
• InChiKey: GAQZYNNIADTOGT-UHFFFAOYSA-N

物化性质

• 沸点：
  107 °C(Press: 14 Torr)
• 密度：
  1.040±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  75.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-Amino-4-thiaheptanonitril 在 盐酸 、 Amberlyst A-21 作用下， 以 乙醇 为溶剂， 生成 [1,5]thiazocan-4-ylideneamine
  参考文献：
  名称：

  Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase

  摘要：

  The potency and selectivity of a series of 5-hetero-2-iminohexahydroazepines were examined as inhibitors or the three human NOS isoforms. The effect or ring substitution of the 5-carbon for a heteroatom is presented. Potencies (IC50's) for these inhibitors are in the low micromolar range for hi-NOS with some examples exhibiting a 500x selectivity versus hec-NOS. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00523-6
• 作为产物：
  描述：

  3-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propylsulfanyl]-propionitrile 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 7-Amino-4-thiaheptanonitril
  参考文献：
  名称：

  Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase

  摘要：

  The potency and selectivity of a series of 5-hetero-2-iminohexahydroazepines were examined as inhibitors or the three human NOS isoforms. The effect or ring substitution of the 5-carbon for a heteroatom is presented. Potencies (IC50's) for these inhibitors are in the low micromolar range for hi-NOS with some examples exhibiting a 500x selectivity versus hec-NOS. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00523-6

文献信息

• [EN] 4- (4-CYANOPHENYL) -1- (3-TRIFLUOROMETHYLPHENYL) -3,4, 6, 7-TETRAHYDRO-1H-PYRROLO [3, 4- D] PYRIMIDINE-2, 5-DIONE DERIVATIVES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS<br/>[FR] DÉRIVÉS DE 4-(4-CYANOPHÉNYL)-1-(3-TRIFLUOROMÉTHYLPHÉNYL)-3,4,6,7-TÉTRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE L'ÉLASTASE DES NEUTROPHILES HUMAINS
  申请人：ARGENTA DISCOVERY LTD

  公开号：WO2009060158A1

  公开（公告）日：2009-05-14

  Thirty six specific compounds having human neutrophil elastase inhibitory activity are disclosed, one of which has the structural formula (1). The compounds are useful inter alia for the treatment of inflammatory respiratory disease, and may be administered by inhalation.

  本文披露了三十六种具有人类中性粒细胞弹性蛋白酶抑制活性的特定化合物，其中一种具有结构式（1）。这些化合物可用于治疗炎症性呼吸道疾病，可以通过吸入给药进行治疗。
• Polyamine for use as a medicine in the treatment of neoplasms
  申请人：MERRELL DOW PHARMACEUTICALS INC.

  公开号：EP0162413A2

  公开（公告）日：1985-11-27

  This invention relates to the use of certain polyamines in the treatment of neoplasms or in conjunctive therapy with ornithine decarboxylase inhibitors and/or S-adeno-sylme- thionine decarboxylase inhibitors or in conjunction with other known cytotoxic agents, or with interferon.

  本发明涉及某些多胺在治疗肿瘤或与鸟氨酸脱羧酶抑制剂和/或 S-腺苷-硫氨酸脱羧酶抑制剂或与其他已知的细胞毒剂或干扰素联合治疗中的应用。
• Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase
  作者：Alan E Moormann、Sue Metz、Mihaly V Toth、William M Moore、Gina Jerome、Christine Kornmeier、Pamela Manning、Donald W Hansen、Barnett S Pitzele、R.K Webber

  DOI：10.1016/s0960-894x(01)00523-6

  日期：2001.10

  The potency and selectivity of a series of 5-hetero-2-iminohexahydroazepines were examined as inhibitors or the three human NOS isoforms. The effect or ring substitution of the 5-carbon for a heteroatom is presented. Potencies (IC50's) for these inhibitors are in the low micromolar range for hi-NOS with some examples exhibiting a 500x selectivity versus hec-NOS. (C) 2001 Elsevier Science Ltd. All rights reserved.