7'-nitro-spiro-1',3'-dione | 52140-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 7'-nitro-spiro-1',3'-dione
• 英文别名: 7'-nitro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1',3'(2'H)-dione；7'-nitro-1'H-spiro[cyclopentane-1,4'-isoquinoline]-1',3' (2'H)-dione；7'-nitrospiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
• CAS: 52140-45-1
• 化学式: C₁₃H₁₂N₂O₄
• 分子量: 260.249
• InChiKey: IWIDVPCXMZKGME-UHFFFAOYSA-N

物化性质

• 沸点：
  513.8±50.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  92
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7'-nitro-spiro-1',3'-dione 在 sodium hydroxide 、 溴 作用下， 以 水 为溶剂， 反应 1.0h， 以66.5 g的产率得到6'-nitrospiro-2'-one
  参考文献：
  名称：

  Nonsteroidal cardiotonics. 1. 2-Pyridyl-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-ones, a novel class of cardiotonic agents

  摘要：

  A series of substituted 2-pyridyl-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-ones 1-24 were synthesized and evaluated for positive inotropic activity. In rats, cats, and dogs most of these tricyclic heterocycles produced a dose-related increase in myocardial contractility with little effect on heart rate and blood pressure. The increase in contractility was not mediated via stimulation of beta-adrenergic receptors. Compound 1 (BM 14.478) was more potent than milrinone (25) and enoximone when administered intravenously to rats, cats, and dogs. After oral administration of 1 mg/kg, compound 1, milrinone, and pimobendan were equipotent. However, only 1 and pimobendan were still active after 6 h. The structural requirements necessary for optimal cardiotonic activity within this novel class of heterocycles were investigated.

  DOI：

  10.1021/jm00391a004
• 作为产物：
  描述：

  alpha-氰基-邻-苯乙腈 在 硫酸 、 硝酸 、 苄基三丁基溴化铵 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 生成 7'-nitro-spiro-1',3'-dione
  参考文献：
  名称：

  EP2975031

  摘要：

  公开号：

文献信息

• HETEROCYCLIC COMPOUND
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20160229814A1

  公开（公告）日：2016-08-11

  The present invention provides a heterocyclic compound having an RORγt inhibitory action. The present invention relates to a compound represented by the formula (I): wherein Ar is a the partial structure (1) to the partial structure (5), Q is a bivalent group selected from the group consisting of (Ia)-(If), and B is a ring optionally having substituent(s), or a salt thereof.

  本发明提供了一种具有RORγt抑制作用的杂环化合物。本发明涉及一种由式(I)表示的化合物：其中Ar是部分结构(1)到部分结构(5)，Q是从(Ia)-(If)组成的双价基团，B是一个环，可以具有取代基，或其盐。
• HOELCK, J. -P.;KAMPE, W.;MERTENS, A.;MUELLER-BECKMAN, B.;STREIN, K.;SPONE+
  作者：HOELCK, J. -P.、KAMPE, W.、MERTENS, A.、MUELLER-BECKMAN, B.、STREIN, K.、SPONE+

  DOI：——

  日期：——
• MERTENS, A.;MULLER-BECKMANN, B.;KAMPE, W.;HOLCK, J. -P.;SAAL, W. VON DER, J. MED. CHEM., 30,(1987) N 8, 1279-1287
  作者：MERTENS, A.、MULLER-BECKMANN, B.、KAMPE, W.、HOLCK, J. -P.、SAAL, W. VON DER

  DOI：——

  日期：——
• EP2975031
  申请人：——

  公开号：——

  公开（公告）日：——
• Nonsteroidal cardiotonics. 1. 2-Pyridyl-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-ones, a novel class of cardiotonic agents
  作者：A. Mertens、B. Mueller-Beckmann、W. Kampe、J. P. Hoelck、W. Von der Saal

  DOI：10.1021/jm00391a004

  日期：1987.8

  A series of substituted 2-pyridyl-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-ones 1-24 were synthesized and evaluated for positive inotropic activity. In rats, cats, and dogs most of these tricyclic heterocycles produced a dose-related increase in myocardial contractility with little effect on heart rate and blood pressure. The increase in contractility was not mediated via stimulation of beta-adrenergic receptors. Compound 1 (BM 14.478) was more potent than milrinone (25) and enoximone when administered intravenously to rats, cats, and dogs. After oral administration of 1 mg/kg, compound 1, milrinone, and pimobendan were equipotent. However, only 1 and pimobendan were still active after 6 h. The structural requirements necessary for optimal cardiotonic activity within this novel class of heterocycles were investigated.