N,N-bis(4-fluorophenyl)carbamoyl chloride | 85710-93-6

• 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: N,N-bis(4-fluorophenyl)carbamoyl chloride
• 英文别名: N,N-di(4-fluorophenyl)carbamoyl chloride
• CAS: 85710-93-6
• 化学式: C₁₃H₈ClF₂NO
• 分子量: 267.662
• InChiKey: SBYJQOXKFQIVMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-bis(4-fluorophenyl)carbamoyl chloride 在 吡啶 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-[[(6R)-6-[bis(4-fluorophenyl)carbamoyloxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
  参考文献：
  名称：

  Metabolism investigation leading to novel drug design 2: Orally active prostacyclin mimetics. Part 5

  摘要：

  A metabolism study of FK788 (2) led to the discovery of new diphenylcarbamoyl derivatives as prostacyclin mimetics without the PG skeleton. We designed and evaluated PGI(2) mimetics based on blocking the main metabolic pathway of FK788. The new compound 7c was found to be equipotent to FK788 towards PGI(2) agonist activity and metabolically more stable than FK788. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.033
• 作为产物：
  描述：

  对溴氟苯 在 吡啶 、 sodium hydroxide 、 potassium carbonate 、 copper(l) chloride 作用下， 以 乙醇 、 二氯甲烷 、 xylene 为溶剂， 生成 N,N-bis(4-fluorophenyl)carbamoyl chloride
  参考文献：
  名称：

  Metabolism investigation leading to novel drug design 2: Orally active prostacyclin mimetics. Part 5

  摘要：

  A metabolism study of FK788 (2) led to the discovery of new diphenylcarbamoyl derivatives as prostacyclin mimetics without the PG skeleton. We designed and evaluated PGI(2) mimetics based on blocking the main metabolic pathway of FK788. The new compound 7c was found to be equipotent to FK788 towards PGI(2) agonist activity and metabolically more stable than FK788. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.033

文献信息

• Tetrasubstituted urea cholinergic agents
  申请人：Warner-Lambert Company

  公开号：US04782071A1

  公开（公告）日：1988-11-01

  Certain tetrasubstituted alkyl, aryl, pyridinyl, piperidinyl, and piperazinyl urea compounds stimulate the release of acetylcholine and are thus useful analgesic agents for alleviating pain or as cholinergic agents which are useful for the amelioration of the symptoms of cognitive decline in the elderly. These compounds have the general formula ##STR1## wherein R.sub.1, R.sub.2 and R.sub.4 are phenyl or substituted phenyl, and R.sub.3 is pyridinyl. Pharmaceutical compositions including these compounds as well as methods for the preparation of the compounds are also disclosed.

  某些四取代烷基、芳基、吡啶基、哌啶基脲化合物促进乙酰胆碱的释放，因此可用作缓解疼痛的镇痛剂或作为胆碱能药物，对于改善老年人认知衰退症状有用。这些化合物的一般结构式为##STR1##其中R.sub.1、R.sub.2和R.sub.4为苯基或取代苯基，R.sub.3为吡啶基。还公开了包括这些化合物的药物组合物以及制备这些化合物的方法。
• 一种含非对称取代脲的功能性有机硅氧烷及其 制备方法
  申请人：福建师范大学

  公开号：CN103755733B

  公开（公告）日：2016-04-06

  本发明公开一种含非对称取代脲的功能性有机硅氧烷及其制备方法,本发明用4,4，-二溴二苯胺与三光气反应得到N,N-二(4-溴苯基)氨基甲酰氯，然后通过与3-氨丙基三乙氧基硅烷反应得到功能性有机硅氧烷，经红外光谱、紫外光谱、1H-NMR和13C-NMR测定证实为含非对称取代脲的功能性有机硅氧烷。该化合物结构中含有多个功能基团：硅氧烷、酰胺、脲基和溴代芳基等。在分子印迹识别材料、结构型阻燃材料、稀土发光材料和白炭黑改性等方面具有潜在应用价值。本发明合成路线合理，条件温和，易于操作，原料成本低，产品收率高。
• Naphthalene derivatives
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US06303649B1

  公开（公告）日：2001-10-16

  A compound of formula (I), wherein R1 is carboxy or protected carboxy, R2 and R3 are each independently hydrogen, hydroxy, or protected hydroxy, R4 is hydrogen or halogen, R5 is aryl substituted with halogen, amino, hydroxy or protected hydroxy, R6 is aryl optionally substituted with halogen, amino, hydroxy or protected hydroxy, A1 and A2 are each independently lower alkylene, and (II) is (III), (IV), (V) or (VI) or its salt, process for preparing it, a pharmaceutical composition including it, and a use thereof.

  化合物式（I），其中R1是羧基或保护羧基，R2和R3各自独立地是氢、羟基或保护羟基，R4是氢或卤素，R5是芳基，其上取代有卤素、氨基、羟基或保护羟基，R6是芳基，可选取代有卤素、氨基、羟基或保护羟基，A1和A2各自独立地是较低的烷基，而（II）是（III）、（IV）、（V）或（VI）或其盐，制备方法，包括它的制药组合物以及其用途。
• RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF
  申请人：Beijing Tide Pharmaceutical Co., Ltd.

  公开号：EP3770148A1

  公开（公告）日：2021-01-27

  The present invention discloses a receptor inhibitor of formula (I), a pharmaceutical composition comprising the same and the use thereof.

  本发明公开了一种式（I）的受体抑制剂、由其组成的药物组合物及其用途。
• Dynamics at the active site of bis(4-fluorophenyl)carbamoyl-.alpha.-chymotrypsin
  作者：M. Cairi、J. T. Gerig

  DOI：10.1021/ja00352a043

  日期：1983.7