乙基4-(1-萘基)-1H-吡咯-3-羧酸酯 | 226930-26-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 乙基4-(1-萘基)-1H-吡咯-3-羧酸酯
• 英文名称: ethyl 4-(1-naphthyl)-1H-pyrrole-3-carboxylate
• 英文别名: 3-(Ethoxycarbonyl)-4-(naphthalen-1-yl)-1H-pyrrole；Ethyl 4-naphthalen-1-yl-1H-pyrrole-3-carboxylate
• CAS: 226930-26-3
• 化学式: C₁₇H₁₅NO₂
• 分子量: 265.312
• InChiKey: RPMKLIJEJHONCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙基4-(1-萘基)-1H-吡咯-3-羧酸酯 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以84%的产率得到3-Hydroxycarbonyl-4-(naphthalen-1-yl)-1H-pyrrole
  参考文献：
  名称：

  一类新型的高效，选择性和非肽类的法呢基转移酶抑制剂（FTase）。

  摘要：

  描述了作为法呢基转移酶抑制剂的一类芳基吡咯的设计，合成和构效关系。一系列这些抑制剂的体外和体内评估导致将2（LB42908）鉴定为目前正在治疗的高效（针对H-Ras的IC（50）= 0.9 nM和针对K-Ras的2.4 nM）抗肿瘤药临床前研究。

  DOI：

  10.1016/s0960-894x(01)00624-2
• 作为产物：
  描述：

  1-萘甲醛 在 sodium tert-pentoxide 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 乙基4-(1-萘基)-1H-吡咯-3-羧酸酯
  参考文献：
  名称：

  Practical One-Pot Syntheses of Ethyl 4-Substituted-1H-Pyrrole-3-Carboxylates from Aldehydes

  摘要：

  Ethyl 4-substituted-1H-pyrrole-3-carboxylates were prepared in a one-pot manner starting from aromatic or aliphatic aldehydes via a Horner-Wadsworth-Emmons reaction and subsequent reaction with tosylmethylisocyanide (TosMIC) in the presence of sodium tert-amylate in toluene. Judicious selection of base and solvent led to the use of a single solvent, i.e., toluene, for reactions as well as for crystallization to render the one-pot process more practical and greener than the stepwise version.

  DOI：

  10.1021/op7002826

文献信息

• Annulated bacteriochlorins for near-infrared photophysical studies
  作者：Hikaru Fujita、Haoyu Jing、Michael Krayer、Srinivasarao Allu、Gorre Veeraraghavaiah、Zhiyuan Wu、Jianbing Jiang、James R. Diers、Nikki Cecil M. Magdaong、Amit K. Mandal、Arpita Roy、Dariusz M. Niedzwiedzki、Christine Kirmaier、David F. Bocian、Dewey Holten、Jonathan S. Lindsey

  DOI：10.1039/c9nj01113g

  日期：——

  tetrapyrroles, annulation at the β,meso-, β,β-, and β-meso-β-positions also has enabled wavelength tuning. Here, synthetic bacteriochlorins bearing a gem-dimethyl group in each pyrroline ring have provided the foundation for studies of annulation. Seven new free base bacteriochlorins have been prepared and seven others have been elaborated therefrom. Six distinct routes known among porphyrins were explored

  在光科学中的各种应用中都对在近红外（NIR）光谱区域具有强吸收性的分子感兴趣。Nature的NIR吸收剂是细菌叶绿素，其中含有四氢卟啉发色团，该发色团被附着的辅助色素（包括β，内消旋的杂环）所加重。等环的修饰提供了一种方便的波长调谐方法。在其他四吡咯中，在β，内消旋-，β，β-和β-内消旋-β-位置的环化也使波长调谐成为可能。在这里，带有宝石的合成细菌绿素每个吡咯啉环中的-二甲基基团为环化研究提供了基础。已经制备了七种新的游离碱细菌绿素，并由此制备了另外七种。探索了在卟啉中已知的六种不同的途径。最终，phenaleno的或苯并在β组环，内消旋-sites（即，跨越3,5-和13,15-位置）菌绿素的溶液通过需要两个连续的钯介导的耦合反应中的新路由实现二溴代氯霉素与溴代芳基硼酸。对应的Phen-BC或Benz-BC分别在913或1033 nm处吸收。检查由时间分辨光谱显示150个PS或PS
• Imidazole derivatives having an inhibitory activity for farnesyl transferase and process for preparation thereof
  申请人：LG Chemical Ltd.

  公开号：US20020137769A1

  公开（公告）日：2002-09-26

  The present invention relates to novel imidazole derivatives which show an inhibitory activity against farnesyl transferase, pharmaceutically acceptable salts or isomers thereof and pharmaceutical compositions comprising such imidazole derivatives. More particularly, the present invention relates to intermediate compounds which are used in the preparation of the imidazole derivatives of the invention. Related processes also are disclosed.

  本发明涉及新型咪唑衍生物，其对法尼酰转移酶具有抑制活性，其药学上可接受的盐或异构体以及包含此类咪唑衍生物的制药组合物。更具体地说，本发明涉及用于制备本发明咪唑衍生物的中间化合物。相关的制备过程也被揭示。
• Farnesyl transferase inhibitors having a piperidine structure and process for preparation thereof
  申请人：LG Chemical Ltd.

  公开号：US06436960B1

  公开（公告）日：2002-08-20

  The present invention relates to a novel piperidine derivative represented by formula (1) which shows an inhibitory activity against farnesyl transferase or pharmaceutically acceptable salts thereof, in which A, E and G are defined in the specification; to a process for preparation of the compound of formula (1); to an intermediate which is used in the preparation of the compound of formula (1); and to a pharmaceutical composition comprising the compound of formula (1) as an active ingredient.

  本发明涉及一种新的哌啶衍生物，其化学式表示为（1），该衍生物对法尼酰转移酶具有抑制活性，或其药学上可接受的盐，其中A、E和G在规范中定义；以及制备化合物（1）的方法；用于制备化合物（1）的中间体；以及包含化合物（1）作为活性成分的制药组合物。
• Pyrrole derivatives useful for farnesyl transferase inhibitors and their preparations
  申请人：LG Life Sciences, Ltd.

  公开号：US06511978B1

  公开（公告）日：2003-01-28

  The present invention relates to a novel pyrrole derivative which shows an inhibitory activity against farnesyl transferase or pharmaceutically acceptable salts or isomers thereof; to a process for preparation of said compound; and to a pharmaceutical composition such as anti-cancer composition, etc. comprising said compound as an active ingredient together with pharmaceutically acceptable carrier.

  本发明涉及一种新型吡咯衍生物，该衍生物显示出对法尼酰转移酶的抑制活性，或其药学上可接受的盐或异构体；以及制备该化合物的过程；以及包括该化合物作为活性成分的药物组合物，例如抗癌组合物等，以及药学上可接受的载体。
• IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF
  申请人：LG CHEMICAL LIMITED

  公开号：EP1045846B1

  公开（公告）日：2003-05-02