4-羟基四氢吡喃-4-羧酸 | 50289-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 4-羟基四氢吡喃-4-羧酸
• 中文别名: 4-羟基恶烷-4-羧酸
• 英文名称: 4-hydroxytetrahydro-2H-pyran-4-carboxylic acid
• 英文别名: 4-hydroxytetrahydropyran-4-carboxylic acid；4-hydroxyoxane-4-carboxylic acid
• CAS: 50289-13-9
• 化学式: C₆H₁₀O₄
• mdl: MFCD14602031
• 分子量: 146.143
• InChiKey: BCYNNNPXILUPDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  10
• 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：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  | 室温 |

反应信息

• 作为反应物：
  描述：

  4-羟基四氢吡喃-4-羧酸 生成 2-((2-cyclopropyl-5-(6-(4-hydroxytetrahydro-2H-pyran-4-carbonyl)-2,6-diazaspiro[3.3]heptan-2-yl)-7-methylpyrazolo[1,5-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile
  参考文献：
  名称：

  AUTOTAXIN INHIBITORS AND USES THEREOF

  摘要：

  本文描述了用于治疗与自体磷脂酶活性相关的疾病、疾病或疾病的方法和组合物。本文披露的方法和组合物包括至少一种自体磷脂酶抑制剂化合物的使用。

  公开号：

  US20190367515A1
• 作为产物：
  描述：

  四氢-4-羟基-2H-吡喃-4-甲腈 在 盐酸 作用下， 生成 4-羟基四氢吡喃-4-羧酸
  参考文献：
  名称：

  Oxazolones as potent inhibitors of 11β-hydroxysteroid dehydrogenase type 1

  摘要：

  2,5,5-Trisubstituted oxazolones were identified as potent inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1). The synthesis, structure-activity relationship and metabolic stability of these compounds are presented. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.054

文献信息

• [EN] IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY<br/>[FR] IMIDAZOPYRIDAZINES UTILES EN TANT QU'INHIBITEURS DE LA VOIE DE SIGNALISATION PAR-2
  申请人：VERTEX PHARMA

  公开号：WO2015048245A1

  公开（公告）日：2015-04-02

  The present invention relates to compounds useful as inhibitors of the PAR-2 signaling pathway. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of GPCRs in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such GPCRs; and the comparative evaluation of new inhibitors of the PAR-2 signaling pathway. The compounds of this invention have formula I: wherein the variables are as defined herein.

  本发明涉及作为PAR-2信号通路抑制剂的化合物。本发明还涉及包含本发明化合物的药用可接受组合物；使用本发明化合物治疗各种疾病、障碍和状况的方法；制备本发明化合物的方法；用于制备本发明化合物的中间体；以及将化合物用于体外应用的方法，例如研究生物和病理现象中的GPCRs；研究由这些GPCRs介导的细胞内信号转导途径；以及比较评估PAR-2信号通路的新抑制剂。本发明的化合物具有公式I：其中变量如本文所述定义。
• Anesthetic compounds and related methods of use
  申请人：THE GENERAL HOSPITAL CORPORATION

  公开号：US09156825B2

  公开（公告）日：2015-10-13

  Provided herein are compounds according to formula (I): Provided herein is also a pharmaceutical composition comprising a compound according to formula (I) and a pharmaceutically acceptable carrier, and a method for providing anesthesia in a subject by administering such a pharmaceutical composition.

  本文提供了按照式(I)的化合物。本文还提供了一种包含按照式(I)的化合物和药学上可接受的载体的药物组合物，以及通过给予这种药物组合物来为受试者提供麻醉的方法。
• [EN] S1P MODULATING AGENTS<br/>[FR] AGENTS MODULANT S1P
  申请人：BIOGEN IDEC INC

  公开号：WO2012109108A1

  公开（公告）日：2012-08-16

  Compounds of formula (I) or (II) can modulate the activity of SIP receptors.

  化合物的分子式（I）或（II）可以调节SIP受体的活性。
• Expanding Synthesizable Space of Disubstituted 1,2,4-Oxadiazoles
  作者：Andrey Tolmachev、Andrey V. Bogolubsky、Sergey E. Pipko、Alexander V. Grishchenko、Dmytro V. Ushakov、Anton V. Zhemera、Oleksandr O. Viniychuk、Anzhelika I. Konovets、Olga A. Zaporozhets、Pavel K. Mykhailiuk、Yurii S. Moroz

  DOI：10.1021/acscombsci.6b00103

  日期：2016.10.10

  One-pot synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from carboxylic acids and nitriles was optimized to parallel chemistry. The method was validated on a 141 member library; the desired products were recovered with a high success rate and in moderate yields. Practical application of the approach was demonstrated in the synthesis of bioactive compound pifexole and agonists of free fatty acid receptor

  优化了从羧酸和腈的一锅法合成3,5-二取代的1,2,4-恶二唑的平行化学反应。该方法已在141个成员库中得到验证；以高成功率和中等收率回收了所需的产品。该方法在生物活性化合物吡非索和游离脂肪酸受体1激动剂的合成中得到了实际应用。在此基础上，列举了4 948 100种可合成的药物样3,5-二取代1,2,4-恶二唑类化合物。方法和可用的经过验证的试剂。
• NOVEL PENAM DERIVATIVE OR SALT THEREOF, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20210024543A1

  公开（公告）日：2021-01-28

  An object of the present invention is to provide a compound and a pharmaceutical composition which exhibit strong antibacterial activity against Gram-negative bacteria and drug-resistant Gram-negative bacteria. A compound represented by General Formula [1] (the reference signs in Formula have the same definitions as those described in the present specification) or a salt thereof has strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa , and the pharmaceutical composition containing the compound or a salt thereof is useful as an antibacterial agent.

  本发明的一个目的是提供一种化合物和药物组合物，对革兰氏阴性细菌和耐药革兰氏阴性细菌表现出强大的抗菌活性。由一般式[1]表示的化合物（式中的参考符号与本说明书中描述的相同定义）或其盐对革兰氏阴性细菌如铜绿假单胞菌和包括多重耐药铜绿假单胞菌在内的耐药革兰氏阴性细菌具有强大的抗菌活性，含有该化合物或其盐的药物组合物可用作抗菌剂。