ethyl 4-(4-(2-bromoethyl)phenyl)butyrate | 167264-38-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 4-(4-(2-bromoethyl)phenyl)butyrate
• 英文别名: 2-[4-(3-ethoxycarbonylpropyl)phenyl]ethyl bromide；Ethyl 4-[4-(2-bromoethyl)phenyl]butanoate
• CAS: 167264-38-2
• 化学式: C₁₄H₁₉BrO₂
• 分子量: 299.208
• InChiKey: CIXBRLQKXQURJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 4-(4-(2-bromoethyl)phenyl)butyrate 在 sodium hydride 、 sodium iodide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 丁酮 为溶剂， 生成 diethyl 2-acetylamino-2-(2-(4-(3-ethoxycarbonylpropyl)phenyl)ethyl)propane-1,3-dioate
  参考文献：
  名称：

  Antibody against a novel, myriocin (ISP-I)-Based immunosuppressant, FTY720

  摘要：

  An antibody was prepared by immunizing rabbits with an ovalbumin conjugate of 2-amino-2-(2-(4-(4-mercaptobutyl)phenyl)ethyl)propane- 1,3-diol HCl (AMPD-4), which contains the essential structure of the novel immunosuppressant FTY720. As the antibody reacted to not only AMPD-4, but also FTY720, it should be useful for immunoassay of FTY720 in body fluids, tissues and cells. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00695-2
• 作为产物：
  描述：

  4-苯丁酸乙酯 在 三乙基硅烷 、 三氯化铝 、 三氟乙酸 作用下， 以 氯仿 为溶剂， 生成 ethyl 4-(4-(2-bromoethyl)phenyl)butyrate
  参考文献：
  名称：

  Antibody against a novel, myriocin (ISP-I)-Based immunosuppressant, FTY720

  摘要：

  An antibody was prepared by immunizing rabbits with an ovalbumin conjugate of 2-amino-2-(2-(4-(4-mercaptobutyl)phenyl)ethyl)propane- 1,3-diol HCl (AMPD-4), which contains the essential structure of the novel immunosuppressant FTY720. As the antibody reacted to not only AMPD-4, but also FTY720, it should be useful for immunoassay of FTY720 in body fluids, tissues and cells. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00695-2

文献信息

• 1-(2-benzimidazolyl)-1,5-diazacyclooctane compounds
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：US05624948A1

  公开（公告）日：1997-04-29

  1-(2-benzimidazolyl)-1,5-diazacyclooctane compounds represented by the formula: ##STR1## wherein X represents a hydrogen atom or a halogen atom; Y represents a covalent bond, a straight- or branched-chain alkylene group having 1 to 6 carbon atoms, or a straight- or branched-chain alkenylene group having 2 to 6 carbon atoms; R represents a hydrogen atom, or a straight- or branched-chain alkyl group having 1 to 6 carbon atoms; and pharmaceutically acceptable salts thereof. The compounds represented above are novel potent and long-lasting histamine HI-receptor antagonist with less-topical irritation, and can be topically administered by inhalation for the treatment of bronchial asthma.

  1-(2-苯并咪唑基)-1,5-二氮杂环辛烷化合物的化学式如下：其中X代表氢原子或卤原子；Y代表共价键，具有1至6个碳原子的直链或支链烷基基团，或具有2至6个碳原子的直链或支链烯烃基团；R代表氢原子，或具有1至6个碳原子的直链或支链烷基基团；以及其药学上可接受的盐。上述化合物是新颖的高效长效组胺H1受体拮抗剂，具有较少局部刺激性，可通过吸入经皮途径治疗支气管哮喘。
• 1-(2-BENZIMIDAZOLYL)-1,5-DIAZACYCLOOCTANE DERIVATIVE
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP0699668A1

  公开（公告）日：1996-03-06

  A 1-(2-benzimidazolyl)-1,5-diazacyclooctane derivative represented by general formula (I) (wherein X represents hydrogen or halogen; Y represents a single bond, C₁-C₆ linear or branched alkylene or C₂-C₆ linear or branched alkenylene; and R represents hydrogen or C₁-C₆ linear or branched alkyl) and a pharmacologically acceptable salt thereof. This compound is a histamine H¹ receptor antagonist which can be topically administered via inhalation as a remedy for bronchial asthma.

  一种由通式（I）代表的 1-（2-苯并咪唑基）-1,5-二氮杂环辛烷衍生物（其中 X 代表氢或卤素；Y 代表单键、C₁-C₆ 直链或支链亚烷基或 C₂-C₆ 直链或支链烯基；R 代表氢或 C₁-C₆ 直链或支链烷基）及其药理学上可接受的盐。该化合物是一种组胺 H¹ 受体拮抗剂，可通过吸入局部给药，作为治疗支气管哮喘的药物。
• Structure–activity relationship studies of the chromosome segregation inhibitor, Incentrom A
  作者：Hee-Yoon Lee、Yongsik Jung、Wonyeob Kim、Jin Hee Kim、Min-Soo Suh、Seung Koo Shin、Hye-Joo Yoon

  DOI：10.1016/j.bmcl.2008.07.006

  日期：2008.8

  A series of Incentrom A analogs that inhibit the chromosome segregation process in yeast were synthesized and tested for their effects on chromosome stability and cell proliferation. Pharmacophore and structure-activity relationship of Incentrom A for the anti-yeast activity were established. (C) 2008 Elsevier Ltd. All rights reserved.
• US5624948A
  申请人：——

  公开号：US5624948A

  公开（公告）日：1997-04-29
• Antibody against a novel, myriocin (ISP-I)-Based immunosuppressant, FTY720
  作者：Tetsuro Fujita、Norimasa Matsumoto、Shuji Uchida、Takeyuki Kohno、Takaaki Shimizu、Ryoji Hirose、Kazuo Yanada、Wasako Kurio、Kazuhito Watabe

  DOI：10.1016/s0960-894x(99)00695-2

  日期：2000.2

  An antibody was prepared by immunizing rabbits with an ovalbumin conjugate of 2-amino-2-(2-(4-(4-mercaptobutyl)phenyl)ethyl)propane- 1,3-diol HCl (AMPD-4), which contains the essential structure of the novel immunosuppressant FTY720. As the antibody reacted to not only AMPD-4, but also FTY720, it should be useful for immunoassay of FTY720 in body fluids, tissues and cells. (C) 2000 Elsevier Science Ltd. All rights reserved.