1,3-Cyclopentadien-1-carbonsaeure | 85004-15-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,3-Cyclopentadien-1-carbonsaeure
• 英文别名: Cyclopentadiencarbonsaeure；Cyclopenta-1,3-diene-1-carboxylic Acid
• CAS: 85004-15-5
• 化学式: C₆H₆O₂
• mdl: MFCD19228813
• 分子量: 110.112
• InChiKey: KRHOUGAQUGCCJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-Cyclopentadien-1-carbonsaeure 生成 fulvene-6,6-diol
  参考文献：
  名称：

  Urwyler, Bernhard; Wirz, Jakob, Angewandte Chemie, 1990, vol. 102, # 7, p. 807 - 809

  摘要：

  DOI：
• 作为产物：
  描述：

  fulvene-6,6-diol 生成 1,3-Cyclopentadien-1-carbonsaeure
  参考文献：
  名称：

  Urwyler, Bernhard; Wirz, Jakob, Angewandte Chemie, 1990, vol. 102, # 7, p. 807 - 809

  摘要：

  DOI：

文献信息

• [EN] ALKYNYL ALCOHOLS AND METHODS OF USE<br/>[FR] ALCOOLS D'ALCYNYLE ET PROCÉDÉS D'UTILISATION CORRESPONDANTS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015025025A1

  公开（公告）日：2015-02-26

  The invention relates to compounds of Formula (0): wherein Q, A1-A8, R4 and R5 and each has the meaning as described herein. Compounds of Formula (0) and pharmaceutical compositions thereof are useful in the treatment of diseases and disorders in which undesired or over- activation of NF-kB signaling is observed.

  这项发明涉及以下式的化合物（0）：其中Q，A1-A8，R4和R5分别具有如本文所述的含义。式（0）的化合物及其药物组成物在治疗观察到NF-kB信号通路的不良或过度活化的疾病和紊乱中是有用的。
• [EN] ALKYNYL ALCOHOLS AND METHODS OF USE<br/>[FR] ALCOOLS D'ALCYNYLE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016135163A1

  公开（公告）日：2016-09-01

  The invention relates to compounds of formula (I), wherein Q, A1-A8, R4 and R5 are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are useful in the treatment of diseases and disorders in which undesired or over-activation of NF-kB signaling is observed.

  本发明涉及公式(I)的化合物，其中Q，A1-A8，R4和R5如本文所述。公式(I)的化合物及其药物组合物可用于治疗在NF-kB信号过度激活的疾病和失调。
• CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING
  申请人：Reiley Pharmaceuticals, Inc.

  公开号：US20150374858A1

  公开（公告）日：2015-12-31

  Conjugates derived from non-steroidal anti-inflammatory drugs (NSAIDs) and methods of use thereof are disclosed, useful for, inter alia, identifying and localizing the site of pathology and/or inflammation responsible for the sensation of pain in a patient; for identifying the sites of primary, secondary, benign, or malignant tumors; and for diagnosing infection or confirming or ruling out suspected infection. The NSAID-based conjugates contain an imaging moiety. The conjugates concentrate at sites of increased cyclooxygenase expression, thus revealing the sites of increased prostaglandin production, which is correlated with pain and inflammation, and correlated with tumor presence and/or location. Identifying areas of increased COX expressing can also aid in screening for infections.

  披露了来自非甾体抗炎药（NSAIDs）的衍生物及其使用方法，这对于识别和定位患者疼痛感觉的病理和/或炎症部位；识别原发、继发、良性或恶性肿瘤的部位；以及诊断感染或确认或排除疑似感染非常有用。基于NSAID的偶联物含有成像基团。这些偶联物在环氧化酶表达增加的部位富集，从而揭示了前列腺素产生增加的部位，这与疼痛和炎症有关，并与肿瘤存在和/或位置有关。识别COX表达增加的区域也有助于筛查感染。
• CARBOXYLIC ACID ESTER PRODUCTION METHOD
  申请人：Mitsubishi Chemical Corporation

  公开号：US20180354885A1

  公开（公告）日：2018-12-13

  Provided is a production method whereby corresponding carboxylic acid esters can be obtained from a variety of carboxylic acids at a high yield, even under conditions using a simple reaction operation and little catalyst and even if the amount of substrate used is theoretical. A production method for carboxylic acid ester, whereby a prescribed diester dicarbonate, carboxylic acid, and alcohol are reacted in the presence of at least one type of magnesium compound and at least one type of alkali metal compound.

  提供的是一种生产方法，可以从各种羧酸中以高收率获得相应的羧酸酯，即使在使用简单的反应操作和少量催化剂的条件下，即使使用的底物量是理论上的。一种羧酸酯的生产方法，其中在至少一种镁化合物和至少一种碱金属化合物的存在下，将规定的二酯二碳酸酯、羧酸和醇反应。
• SYNTHESIS OF THIENO[3,4-b]THIOPHENE, THIENO[3,4-b]FURAN, RELATED COMPOUNDS AND THEIR DERIVATIVES AND USE THEREOF
  申请人：Sotzing Gregory A.

  公开号：US20090326187A1

  公开（公告）日：2009-12-31

  Inexpensive and facile methods of preparing fused heterocycles such as thieno[3,4-b]thiophene, thieno[3,4-b]furan, related compounds, and their derivatives are disclosed. Also disclosed are regioregular polymers prepared from the fused heterocycles.

  揭示了制备噻吩并[3,4-b]噻吩、噻吩并[3,4-b]呋喃、相关化合物及其衍生物的廉价且简便的方法。还揭示了由这些融合杂环制备的规则寡聚物。