3-formyl-6-isopropyltropolone | 137568-79-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-formyl-6-isopropyltropolone
• 英文别名: 3-Formyl-6-isopropyl-tropolon；7-Formyl-4-isopropyl-2-hydroxy-2,4,6-cycloheptatrien-1-one；2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-triene-1-carbaldehyde
• CAS: 137568-79-7
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: BNQXFOYRBZYVNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-formyl-6-isopropyltropolone 在 N-溴代丁二酰亚胺(NBS) 、 一水合肼 作用下， 反应 2.0h， 生成 5-bromo-6-isopropyl-1H-cycloheptapyrazol-8-one
  参考文献：
  名称：

  Matsumoto, Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., 1958, vol. 42, p. 222,230

  摘要：

  DOI：
• 作为产物：
  描述：

  7-hydroxymethyl-4-isopropyltropolone 在 manganese(IV) oxide 作用下， 生成 3-formyl-6-isopropyltropolone
  参考文献：
  名称：

  Substituted tropolone compounds, oral care compositions containing the same and methods of using the same

  摘要：

  本发明涉及本发明的新型环己酮化合物以及适用于预防或治疗温血动物包括人类口腔疾病或状况的口腔护理组合物，包括口腔护理有效量的至少一种新型环己酮化合物和药用可接受的口腔载体。本发明还涉及一种方法，通过将口腔护理组合物的口腔护理有效量应用于口腔，预防或治疗温血动物包括人类口腔疾病或状况。

  公开号：

  US20040018216A1

文献信息

• Tropolone derivatives and pharmaceutical composition thereof for
  申请人：The Upjohn Company

  公开号：US05594144A1

  公开（公告）日：1997-01-14

  The present invention provides novel tropolone derivatives of the formula I ##STR1## wherein R.sub.10 is a substituted or unsubstituted piperazinyl or benzothiazolidinyl group, and pharamaceutical compositions thereof. These compounds are useful for the prevention and treatment of ischemic diseases, including cerebrovascular diseases and cardiovascular diseases.

  本发明提供了式I的新型环酮衍生物：##STR1## 其中R.sub.10是取代或未取代的哌嗪基或苯并噻唑啉基，以及其制备的药物组合物。这些化合物对于预防和治疗缺血性疾病，包括脑血管疾病和心血管疾病非常有用。
• ORAL CARE COMPOSITIONS COMPRISING TROPOLONE COMPOUNDS AND ESSENTIAL OILS AND METHODS OF USING THE SAME
  申请人：——

  公开号：US20040018154A1

  公开（公告）日：2004-01-29

  The present invention relates to oral care compositions suitable for preventing or treating diseases or conditions of the oral cavity in warm-blooded animals including humans, comprising an oral care effective amount of at least one tropolone compound in combination with at least one essential oil, and a pharmaceutically acceptable oral carrier. This invention further relates to a method for preventing or treating diseases or conditions of the oral cavity in warm-blooded animals including humans, by applying an oral care effective amount of the oral care composition to the oral cavity.

  本发明涉及适用于预防或治疗温血动物，包括人类口腔腔内疾病或病症的口腔护理组合物，包括至少一种茚三酮化合物和至少一种精油的口腔护理有效量，以及药学上可接受的口腔载体。本发明还涉及一种方法，通过将口腔护理组合物的口腔护理有效量应用于口腔，预防或治疗温血动物，包括人类口腔腔内疾病或病症。
• Synthesis and antitumor activity of tropolone derivatives. 7. Bistropolones containing connecting methylene chains
  作者：Masatoshi Yamato、Junko Ando、Katsuhito Sakaki、Kuniko Hashigaki、Yusuke Wataya、Shigeru Tsukagoshi、Tazuko Tashiro、Takashi Tsuruo

  DOI：10.1021/jm00080a010

  日期：1992.1

  Bistropolone derivatives (4-12) containing differing lengths of linkage between the two tropolone rings were prepared and examined for their antitumor activity in in vitro (KB cell) and in vivo (leukemia P388 in mice) systems. Parent compound 3, related compounds previously prepared, and the new compounds 4-12 were evaluated for inhibitory activity against ribonucleotide reductase by indirect means

  制备在两个对tro酮环之间具有不同键长的Bistropolone衍生物（4-12），并在体外（KB细胞）和体内（小鼠白血病P388）系统中检查其抗肿瘤活性。通过间接方法评估母体化合物3，先前制备的相关化合物和新化合物4-12对核糖核苷酸还原酶的抑制活性，以测量其对dNTP库失衡的影响。当前的结构-活性关系结果表明，在体内有效活性的双tropolones通过在酶的两个活性位点与两个铁螯合来抑制细胞内核糖核苷酸还原酶。
• Oral care compositions comprising tropolone compounds and essential oils and methods of using the same
  申请人：——

  公开号：US20040185010A1

  公开（公告）日：2004-09-23

  The present invention relates to oral care compositions suitable for preventing or treating diseases or conditions of the oral cavity in warm-blooded animals including humans, comprising an oral care effective amount of at least one tropolone compound in combination with at least one essential oil, and a pharmaceutically acceptable oral carrier. This invention further relates to a method for preventing or treating diseases or conditions of the oral cavity in warm-blooded animals including humans, by applying an oral care effective amount of the oral care composition to the oral cavity.

  本发明涉及适用于预防或治疗包括人类在内的温血动物口腔疾病或病症的口腔护理组合物，该组合物包含口腔护理有效量的至少一种tropolone化合物与至少一种精油，以及药学上可接受的口腔载体。本发明进一步涉及一种预防或治疗包括人类在内的温血动物口腔疾病或病症的方法，方法是将口腔护理有效量的口腔护理组合物涂抹于口腔。
• Sebe; Matsumoto, Science Report of the Tohok University, 1954, vol. 38, p. 308,316
  作者：Sebe、Matsumoto

  DOI：——

  日期：——