indole-4(5H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: indole-4(5H)-one
• 英文别名: 2-indoloenone；1,5-Dihydroindol-4-one
• 化学式: C₈H₇NO
• 分子量: 133.15
• InChiKey: MSVFBWSGQLBKRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  indole-4(5H)-one 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 0.08h， 生成 4-氯吲哚
  参考文献：
  名称：

  Discovery of a 4-aryloxy-1H-pyrrolo[3,2-c]pyridine and a 1-aryloxyisoquinoline series of TRPA1 antagonists

  摘要：

  A series of TRPA1 antagonists is described having a 4-aryloxy-1H-pyrrolo[3,2-c]pyridine or a 1-aryloxyisoquinoline scaffold. These compounds have high ligand efficiency and favorable physical properties and may thus serve as scaffolds for further optimization. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.045

文献信息

• [EN] 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS<br/>[FR] COMPOSES 1H-PYRAZOLE 3,4-DISUBSTITUES ET LEUR UTILISATION EN TANT QUE KINASES DEPENDANT DES CYCLINES (CDK) ET MODULATEURS DE LA GLYCOGENE SYNTHASE KINASE-3 (GSK-3)
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2005012256A1

  公开（公告）日：2005-02-10

  The invention provides compounds of the formula (0) or salts or tautomers or N-oxides or solvates thereof for use in the prophylaxis or treatment of disease states and conditions such as cancers mediated by cyclin-dependent kinase and glycogen synthase kinase-3. Formula (0). In formula (0): X is a group R1-A-NR4- or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, S02, C=O, NRg(C=O) or O(C=O) wherein Rg is hydrogen or C1-4 hydrocarbyl optionally substituted by hydroxy or C1-4 alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; R1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or a C1-8 hydrocarbyl group optionally substituted by one or more substituents selected from halogen (e.g. fluorine), hydroxy, C1-4 hydrocarbyloxy, amino, mono- or di-C1-4 hydrocarbylamino, and carbocyclic or heterocyclic groups having from 3 to 12 ring members, and wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from 0, S, NH, SO, S02; R2 is hydrogen; halogen; C1-4 alkoxy (e.g. methoxy); or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy); R3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R4 is hydrogen or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy).

  该发明提供了以下式（0）的化合物或其盐或互变异构体或N-氧化物或其溶剂合物，用于预防或治疗由细胞周期依赖性激酶和糖原合成酶-3介导的癌症等疾病状态和病症。在式（0）中：X是一个基团R1-A-NR4-或一个5-或6-成员的碳环或杂环；A是一个键，S02，C=O，NRg（C=O）或O（C=O），其中Rg是氢或C1-4烃基，可以选择性地被羟基或C1-4烷氧基取代；Y是一个键或一个由1、2或3个碳原子组成的烷基链；R1是氢；一个具有3到12个环成员的碳环或杂环基团；或一个C1-8烃基，可以选择性地被卤素（如氟）、羟基、C1-4烷氧基、氨基、单或双C1-4烃基氨基以及具有3到12个环成员的碳环或杂环基团取代，其中烃基的1或2个碳原子可以选择性地被从0、S、NH、SO、S02中选择的原子或基团所取代；R2是氢；卤素；C1-4烷氧基（如甲氧基）；或一个C1-4烃基，可以选择性地被卤素（如氟）、羟基或C1-4烷氧基（如甲氧基）取代；R3从氢和具有3到12个环成员的碳环或杂环基团中选择；R4是氢或一个C1-4烃基，可以选择性地被卤素（如氟）、羟基或C1-4烷氧基（如甲氧基）取代。
• [EN] CRTH2 MODULATORS<br/>[FR] MODULATEURS DE CRTH2
  申请人：IRONWOOD PHARMACEUTICALS INC

  公开号：WO2010039982A1

  公开（公告）日：2010-04-08

  Modulators of CRTH2, particularly antagonists of CRTH2, that are useful for treating various disorders, including asthma and respiratory disorders are disclosed. The compounds fall within a genus described by formula I.

  CRTH2的调节剂，特别是CRTH2的拮抗剂，可用于治疗包括哮喘和呼吸道疾病在内的各种疾病。这些化合物属于由式I描述的一类。
• Cyclopropylpyrroloindole-oligopeptide anticancer agents
  申请人：Synphar Laboratories, Inc.

  公开号：US05502068A1

  公开（公告）日：1996-03-26

  The invention is directed to novel cyclopropylpyrroloindole-oligopeptide compounds which are useful as anticancer agents. The novel cyclopropylpyrroloindole-oligopeptide compounds have the following general structure: ##STR1## wherein, Het.sup.1 and Het.sup.2 are individually selected from the group consisting of pyrrole, imidazole, triazole, thiophene, furan, thiazole, oxazole and pyrazole, R is selected from the group consisting of a valence bond; a C.sub.1 -C.sub.6 alkyl; a C.sub.2 -C.sub.6 alkenyl; a C.sub.2 -C.sub.6 alkynyl; and an ortho, meta or para linked aromatic group, A is selected from the group consisting of a C.sub.1 -C.sub.6 alkyl group; an amidine or derivative thereof; a guanidine; a secondary, tertiary or quaternary ammonium salt; and a sulfonium salt, n is 0 to 3, and m is 0 to 3.

  本发明涉及一种新型环丙基吡咯并吲哚寡肽化合物，其可用作抗癌剂。新型环丙基吡咯并吲哚寡肽化合物具有以下一般结构：##STR1##其中，Het.sup.1和Het.sup.2分别选自吡咯、咪唑、三唑、噻吩、呋喃、噻唑、噁唑和吡唑组成的群体，R选自一个键合价、一个C.sub.1-C.sub.6烷基、一个C.sub.2-C.sub.6烯基、一个C.sub.2-C.sub.6炔基和一个邻、间或对位连接的芳香基团，A选自C.sub.1-C.sub.6烷基、酰胺或其衍生物、鸟氨酸、二级、三级或季铵盐和硫鎓盐组成的群体，n为0至3，m为0至3。
• [EN] USE OF SIGMA RECEPTOR LIGANDS FOR THE PREVENTION AND TREATMENT OF PAIN ASSOCIATED TO INTERSTITIAL CYSTITIS/BLADDER PAIN SYNDROME (IC/BPS)<br/>[FR] UTILISATION DES LIGANDS DES RÉCEPTEURS SIGMA POUR PRÉVENIR ET TRAITER LA DOULEUR ASSOCIÉE À LA CYSTITE INTERSTITIELLE/AU SYNDROME DE LA VESSIE DOULOUREUSE (IC/BPS).
  申请人：ESTEVE LABOR DR

  公开号：WO2014207024A1

  公开（公告）日：2014-12-31

  The invention refers to the use of a sigma ligand, particularly a sigma ligand of formula (I) to prevent and/or treat pain associated to interstitial cystitis/bladder pain syndrome (IC/BPS).

  该发明涉及使用sigma配体，特别是公式(I)的sigma配体，以预防和/或治疗与间质性膀胱炎/膀胱疼痛综合征（IC / BPS）相关的疼痛。
• [EN] ALPHA-2 ADRENOCEPTOR AND SIGMA RECEPTOR LIGAND COMBINATIONS<br/>[FR] ASSOCIATIONS DE LIGANDS DES ADRÉNORÉCEPTEURS ALPHA-2 ET DES RÉCEPTEURS SIGMA
  申请人：ESTEVE LABOR DR

  公开号：WO2014170319A1

  公开（公告）日：2014-10-23

  The invention refers to a combination comprising a Sigma ligand of general formula (I) and alpha-2-adrenergic agonist compound, a medicament comprising said active substance combination, and the use of said active substance combination for the manufacture of a medicament, particularly for the prophylaxis and/or treatment of pain.

  该发明涉及一种组合物，包括一种通式为(I)的Sigma配体和一种α-2肾上腺素受体激动剂化合物，一种包含该活性物质组合物的药物，以及利用该活性物质组合物制备药物，特别是用于预防和/或治疗疼痛。