7-tert-Butyl-1-naphthol | 169311-90-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-tert-Butyl-1-naphthol
• 英文别名: 8-Hydroxy-2-tert.-butyl-naphthalin；7-tert-Butyl-[1]naphthol；1-Naphthalenol, 7-(1,1-dimethylethyl)-；7-tert-butylnaphthalen-1-ol
• CAS: 169311-90-4
• 化学式: C₁₄H₁₆O
• 分子量: 200.28
• InChiKey: IYYHQNWGPHANLU-UHFFFAOYSA-N

物化性质

• 沸点：
  333.7±11.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 selenium 作用下， 生成 7-tert-Butyl-1-naphthol
  参考文献：
  名称：

  Cagniant; Buu-Hoi, Bulletin de la Societe Chimique de France, 1942, vol. <5> 9, p. 111,117

  摘要：

  DOI：

文献信息

• ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS
  申请人：Pinto Donald J.P.

  公开号：US20100016316A1

  公开（公告）日：2010-01-21

  The present invention provides compounds of Formula (I) or (II): or a stereoisomer, tautomer, pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L 1 , R 3 , R 4 , R 8a , R 11 and M are as defined herein. The compounds of Formula (I) or (II) are selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了化合物的结构式（I）或（II）： 或其立体异构体、互变异构体、药学上可接受的盐或溶剂形式，其中变量A、L1、R3、R4、R8a、R11和M如本文所定义。结构式（I）或（II）的化合物是凝血级联和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、Xa因子、XIa因子、IXa因子、VIIa因子和/或血浆激肽。具体而言，涉及选择性XIa因子抑制剂或fXIa和血浆激肽的双重抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• MASP-2 INHIBITORS AND METHODS OF USE
  申请人：Omeros Corporation

  公开号：US20210171461A1

  公开（公告）日：2021-06-10

  The present disclosure provides, inter alia, compounds with MASP-2 inhibitory activity, compositions of such compounds, and methods of making and using such compounds.

  本公开提供了具有MASP-2抑制活性的化合物，这些化合物的组合物，以及制备和使用这些化合物的方法。
• THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS
  申请人：Han Wei

  公开号：US20090253766A1

  公开（公告）日：2009-10-08

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein the variables A, L 1 , R 3 , and R 11 are as defined herein. The compounds of Formula (I) are useful as selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式（I）的化合物：或其立体异构体、互变异构体、药学上可接受的盐、溶剂化物或前药，其中变量A、L1、R3和R11如本文所定义。式（I）的化合物可用作凝血级联和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂，例如凝血酶、Xa因子、XIa因子、IXa因子、VIIa因子和/或血浆卡利肌酶。特别地，涉及到选择性XIa因子抑制剂的化合物。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS
  申请人：Corte James R.

  公开号：US20090181983A1

  公开（公告）日：2009-07-16

  The present invention provides compounds of Formula (I): or a stereoisomer, tautomer, pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, B, R 3 and R 11 are as defined herein. The compounds of Formula (I) are useful as selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式（I）的化合物：或其立体异构体，互变异构体，药学上可接受的盐或溶剂形式，其中变量A，B，R3和R11如本文所定义。式（I）的化合物可用作凝血级联和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶，因子Xa，因子XIa，因子IXa，因子VIIa和/或血浆卡利肯。具体而言，本发明涉及选择性因子XIa抑制剂或fXIa和血浆卡利肯的双重抑制剂化合物。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• Regioselectivity in the Friedel-Crafts tert-Butylation of 1-Naphthol
  作者：Paris E. Georghiou、Muhammad Ashram

  DOI：10.1021/jo00114a049

  日期：1995.5