4-isocyanatotetrahydro-2H-pyran | 53035-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 4-isocyanatotetrahydro-2H-pyran
• 英文别名: 4-Isocyanatooxane
• CAS: 53035-92-0
• 化学式: C₆H₉NO₂
• mdl: MFCD14529283
• 分子量: 127.143
• InChiKey: AAWBYOPQSPDPCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  4-isocyanatotetrahydro-2H-pyran 在 lithium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (E)-4,6-dichloro-3-{2-[[4-(methylureido(tetrahydropyran-4-yl))phenyl]carbamoyl]vinyl}-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  Substituted Analogues of GV150526 as Potent Glycine Binding Site Antagonists in Animal Models of Cerebral Ischemia

  摘要：

  A series of analogues of the indole-2-carboxylate GV150526, currently in clinical trials as a potential neuroprotective agent for the control of the cerebral damage after stroke onset, was designed based on previous studies dealing with the electronic features of the north-east region of the glycine binding site associated with the NMDA receptor. In particular, the substitution of the para position of the terminal phenyl ring of GV150526 with suitable hydrophilic groups resulted in the identification of a new class of glycine antagonists. These compounds exhibited nanomolar in vitro affinity to the glycine binding site, high receptor selectivity, and outstanding in vivo potency. In particular, 3-[(E)-2-[(4-ureidomethylphenyl)aminocarbonyl]ethenyl]-4,6-dichloroindole-2-carboxylic acid was found to be highly effective in the middle cerebral artery occlusion (MCAo) model in the rat, an animal model of focal ischemia, when given both prior to and after the occlusion of the middle cerebral artery. Notably, a significant; neuroprotective effect was seen in this model postischamia, when the administration of this compound was delayed up to 6 h from the occlusion of the middle cerebral artery, further confirming the wide therapeutic window seen for GV150526A.

  DOI：

  10.1021/jm980576n
• 作为产物：
  描述：

  四氢吡喃-4-甲酸 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 4-isocyanatotetrahydro-2H-pyran
  参考文献：
  名称：

  Substituted Analogues of GV150526 as Potent Glycine Binding Site Antagonists in Animal Models of Cerebral Ischemia

  摘要：

  A series of analogues of the indole-2-carboxylate GV150526, currently in clinical trials as a potential neuroprotective agent for the control of the cerebral damage after stroke onset, was designed based on previous studies dealing with the electronic features of the north-east region of the glycine binding site associated with the NMDA receptor. In particular, the substitution of the para position of the terminal phenyl ring of GV150526 with suitable hydrophilic groups resulted in the identification of a new class of glycine antagonists. These compounds exhibited nanomolar in vitro affinity to the glycine binding site, high receptor selectivity, and outstanding in vivo potency. In particular, 3-[(E)-2-[(4-ureidomethylphenyl)aminocarbonyl]ethenyl]-4,6-dichloroindole-2-carboxylic acid was found to be highly effective in the middle cerebral artery occlusion (MCAo) model in the rat, an animal model of focal ischemia, when given both prior to and after the occlusion of the middle cerebral artery. Notably, a significant; neuroprotective effect was seen in this model postischamia, when the administration of this compound was delayed up to 6 h from the occlusion of the middle cerebral artery, further confirming the wide therapeutic window seen for GV150526A.

  DOI：

  10.1021/jm980576n

文献信息

• [EN] HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES<br/>[FR] HÉTÉRO-1,5,6,7-TÉTRAHYDRO-4H-INDOL-4-ONES
  申请人：BAYER PHARMA AG

  公开号：WO2017102649A1

  公开（公告）日：2017-06-22

  Compounds of formula (I) as described herein, processes for their production and their use as pharmaceuticals.

  本文件所述的式(I)化合物、其制备方法以及作为药物的用途。
• [EN] ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDOLE MACROCYCLIQUES ANNELÉS ARYLE
  申请人：BAYER AG

  公开号：WO2019096907A1

  公开（公告）日：2019-05-23

  The present invention relates to aryl annulated macrocyclic indole derivatives of general formula (I): in which R1, R2, R3, R4, R5, R6, A and L are as 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 of hyperproliferative disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）所示的芳基环化大环吲哚衍生物，其中R1、R2、R3、R4、R5、R6、A和L如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增殖性疾病的药物组合物，作为唯一药剂或与其他活性成分结合使用。
• [EN] TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE, AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE<br/>[FR] TÉTRAHYDRONAPHTYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE ET COMPOSÉS BICYCLIQUES APPARENTÉS POUR L'INHIBITION DE L'ACTIVITÉ DE RORGAMMA ET LE TRAITEMENT DE MALADIE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015095795A1

  公开（公告）日：2015-06-25

  The invention provides certain bicylic heterocyclic compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein X1, X2, R1, R2, R3, R4, and Cy are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds of the Formula (I) or pharmaceutically acceptable salts thereof, and methods of using the compounds of the Formula (I) or pharmaceutically acceptable salts thereof or pharmaceutical compositions comprising the same for treating diseases or conditions mediated by RORgammaT.

  这项发明提供了公式（I）的某些双环杂环化合物或其药学上可接受的盐，其中X1、X2、R1、R2、R3、R4和Cy如本文所定义。该发明还提供了包括公式（I）的这种化合物或其药学上可接受的盐的药物组合物，以及使用公式（I）的这种化合物或其药学上可接受的盐或包含相同的药物组合物治疗由RORgammaT介导的疾病或症状的方法。
• [EN] INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM<br/>[FR] INHIBITEURS DE MÉTHIONYL-ARNT SYNTHÉTASE DE TYPE 1 ET LEURS MÉTHODES D'UTILISATION
  申请人：UNIV WASHINGTON

  公开号：WO2018237349A1

  公开（公告）日：2018-12-27

  The present disclosure is generally directed to compositions useful in the inhibition of MetRS and methods for treating diseases that are ameliorated by the inhibition of MetRS.

  本公开涉及的是通常用于抑制MetRS的组合物和治疗通过抑制MetRS改善的疾病的方法。
• [EN] CCR8 INHIBITORS<br/>[FR] INHIBITEURS DE CCR8
  申请人：MILLENNIUM PHARM INC

  公开号：WO2004058736A1

  公开（公告）日：2004-07-15

  Disclosed is an inhibitor of CCR8 that is represented by Structural Formula (I). Also disclosed are pharmaceutical compositions comprising a pharmaceutically acceptable carrier or diluent and a CCR8 inhibitor represented by Structural Formula (I). Also disclosed is a method of treating inflammatory disorders in a subject by administering a CCR8 inhibitor to the subject.

  揭示了一种由结构式（I）表示的CCR8抑制剂。还揭示了包括药用载体或稀释剂和由结构式（I）表示的CCR8抑制剂的药物组合物。还揭示了通过向受试者施用CCR8抑制剂来治疗炎症性疾病的方法。