3-甲基-1,5,6,7-四氢吲唑-4-酮 | 63446-38-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-甲基-1,5,6,7-四氢吲唑-4-酮
• 英文名称: 3-methyl-1(2),5,6,7-tetrahydro-4H-indazole-4-one
• 英文别名: 3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one；1,5,6,7-tetrahydro-3-methylindazol-4-one；1,5,6,7-tetrahydro-3-methyl-4H-indazol-4-one；3-methyl-6,7-dihydro-1H-indazol-4(5H)-one；3-methyl-2,5,6,7-tetrahydroindazol-4-one
• CAS: 63446-38-8
• 化学式: C₈H₁₀N₂O
• mdl: MFCD00168632
• 分子量: 150.18
• InChiKey: VROXGINCMQLXRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-甲基-1,5,6,7-四氢吲唑-4-酮 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以80%的产率得到3-甲基-4,5,6,7-四氢-1H-吲唑-4-醇
  参考文献：
  名称：

  A Convenient Synthesis of Indazoles

  摘要：

  DOI：

  10.1055/s-1984-31048
• 作为产物：
  描述：

  2-(1-Hydroxy-ethylidene)-cyclohexane-1,3-dione 在 肼 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以94%的产率得到3-甲基-1,5,6,7-四氢吲唑-4-酮
  参考文献：
  名称：

  Peet, Norton P.; LeTourneau, Michael E., Heterocycles, 1991, vol. 32, # 1, p. 41 - 72

  摘要：

  DOI：

文献信息

• SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME
  申请人：BlinkBio, Inc.

  公开号：US20170202970A1

  公开（公告）日：2017-07-20

  Described herein are silicon based conjugates capable of delivering one or more payload moieties to a target cell or tissue. Contemplated conjugates may include a silicon-heteroatom core, one or more optional catalytic moieties, a targeting moiety that permits accumulation of the conjugate within a target cell or tissue, one or more payload moieties (e.g., a therapeutic agent or imaging agent), and two or more non-interfering moieties covalently bound to the silicon-heteroatom core.

  本文描述了基于硅的共轭物，能够将一个或多个有效载荷基团传递到靶细胞或组织。考虑到的共轭物可能包括一个硅-杂原子核心，一个或多个可选的催化基团，一个定位基团，允许共轭物在靶细胞或组织内积累，一个或多个有效载荷基团（例如，治疗剂或成像剂），以及与硅-杂原子核心共价结合的两个或更多个不干扰基团。
• [EN] HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] COMPOSÉS HÉTÉROTRICYCLIQUES EN TANT QUE MODULATEURS ALLOSTÉRIQUES POSITIFS DES RÉCEPTEURS GLUTAMATERGIQUES MÉTABOTROPES
  申请人：ADDEX PHARMACEUTICALS SA

  公开号：WO2010079238A1

  公开（公告）日：2010-07-15

  The present invention relates to novel compounds of Formula (I), wherein wherein X1, X2, Y, Z1, Z2, Z3, M and (A)m are defined as in Formula (I); invention compounds are modulators of metabotropic glutamate receptors - subtype 4 ("mGluR4") which are useful for the treatment or prevention of central nervous system disorders as well as other disorders modulated by mGluR4 receptors. The invention is also directed to pharmaceutical compositions and the use of such compounds in the manufacture of medicaments, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR4 is involved.

  本发明涉及式(I)的新化合物，其中X1、X2、Y、Z1、Z2、Z3、M和(A)m的定义如式(I)中所述；该发明化合物是代谢型谷氨酸受体-亚型4（"mGluR4"）的调节剂，对于治疗或预防中枢神经系统疾病以及其他受mGluR4受体调节的疾病具有用处。该发明还涉及制药组合物以及利用这些化合物制造药物的用途，以及利用这些化合物预防和治疗涉及mGluR4的疾病的用途。
• [EN] SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE 6- (1H-PYRAZOL-1-YL) PYRIMIDIN-4-AMINE SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：BAYER AG

  公开号：WO2018069222A1

  公开（公告）日：2018-04-19

  The present invention covers substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine compounds of general formula (I) as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of cardiovascular and renal diseases, as a sole agent or in combination with other active ingredients.

  本发明涵盖了通式（I）所述和定义的取代6-(1H-吡唑-1-基)嘧啶-4-胺化合物，以及制备该化合物的方法，用于制备该化合物的有用中间体化合物，包含该化合物的药物组合物和组合物，以及利用该化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一活性成分或与其他活性成分组合使用，用于治疗和/或预防心血管和肾脏疾病。
• Cycloalkane[1,2-c:4,3-c']dipyrazoles and their use as bronchodilators
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04734429A1

  公开（公告）日：1988-03-29

  The present invention is directed to a group of methylated tetrahydro cyclohepta[1,2-c:4,3-c']dipyrazoles and benzo[1,2-c:4,3-c']dipyrazoles useful as bronchodilators. The compounds are prepared by the reaction of an appropriate hydrazine with an appropriate 1,3-diketone or with a compound that is chemically equivalent to a 1,3-diketone.

  本发明涉及一组甲基化的四氢环庚[1,2-c:4,3-c']二吡唑和苯并[1,2-c:4,3-c']二吡唑，作为支气管扩张剂有用。这些化合物是通过将适当的肼与适当的1,3-二酮或与化学上等效于1,3-二酮的化合物反应制备的。
• Dipyrazoles and their use as bronchodilators
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04734430A1

  公开（公告）日：1988-03-29

  A group of variously methyl-substituted[1,2-c:3,4-c']dipyrazoles, cyclohepta[1,2-c:3,4-c']dipyrazoles, and cyclopenta[1,2-c:3,4-c']dipyrazoles useful as bronchodilators are described herein. The compounds are prepared by reacting a 1,3-diketone with hydrazine or methylhydrazine to give tricyclic products optionally followed by catalytic dehydrogenation and/or alkylation with a strong base and methyl iodide to give various other compounds within the scope of the invention.

  本文描述了一组不同甲基取代的[1,2-c:3,4-c']二吡唑，环庚[1,2-c:3,4-c']二吡唑和环戊[1,2-c:3,4-c']二吡唑，它们作为支气管扩张剂具有用途。这些化合物是通过将1,3-二酮与肼或甲基肼反应制备得到的三环产物，随后可以选择性地进行催化脱氢和/或与强碱和碘甲烷烷基化反应以得到发明范围内的各种其他化合物。