methyl 4-(2-aminoethyl)-2-fluorophenoxyacetate hydrochloride

• 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: methyl 4-(2-aminoethyl)-2-fluorophenoxyacetate hydrochloride
• 英文别名: methyl 2-[4-(2-aminoethyl)-2-fluorophenoxy]acetate;hydrochloride
• 化学式: C₁₁H₁₄FNO₃*ClH
• 分子量: 263.696
• InChiKey: KNSOOLDZGNRUKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  61.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-(2-aminoethyl)-2-fluorophenoxyacetate hydrochloride 生成 2-[4-[2-(benzenesulfonamido)ethyl]-2-fluoro-6-nitrophenoxy]acetic acid
  参考文献：
  名称：

  IVAKUMA, TAKEHO;KAVAGUTI, TAKAYUKI;YAMASITA, TOEXARU;SASAKI, YASUXIKO;SIM+

  摘要：

  DOI：
• 作为产物：
  描述：

  Methyl 2-[2-fluoro-4-[2-(phenylmethoxycarbonylamino)ethyl]phenoxy]acetate 生成 methyl 4-(2-aminoethyl)-2-fluorophenoxyacetate hydrochloride
  参考文献：
  名称：

  IVAKUMA, TAKEHO;KAVAGUTI, TAKAYUKI;YAMASITA, TOEXARU;SASAKI, YASUXIKO;SIM+

  摘要：

  DOI：

文献信息

• Phenoxyacetic acid derivatives, pharmaceutical compositions and methods
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US04948810A1

  公开（公告）日：1990-08-14

  Novel phenoxyacetic acid derivative of the formula: ##STR1## wherein R is a substituted or unsubstituted phenyl group, naphthyl group or a sulfur-containing 5-membered hetero-monocyclic group, R.sup.1, R.sup.2, R.sup.3 and R.sup.4 are hydrogen atom, a lower alkyl group, a phenyl-lower alkyl group or phenyl group, R.sup.5 is hydrogen atom or a lower alkyl group, R.sup.6 is carboxyl group, a protected carboxyl group, hydroxy group or a di(lower alkyl)-amino group, Ring A is a substituted or unsubstituted phenylene group, m is 0 or 1 and n is an integer 0 to 5, provided that, when m is 0, (1) at least either one of R.sup.1 to R.sup.4 is or/are a phenyl-lower alkyl group or phenyl group, (2) at least either one of R.sup.1 to R.sup.4 is or/are a lower alkyl group, and R.sup.6 is hydroxy group, or (3) all of R.sup.1 to R.sup.4 are hydrogen atom, and Ring A is a substituted phenylene group, or a pharmaceutically acceptable salt thereof are disclosed. Said derivative (I) and a pharmaceutically acceptable salt thereof have a potent platelet aggregation-inhibiting activity.

  式(I)所示的新型苯氧乙酸衍生物：##STR1##其中R为取代或未取代的苯基、萘基或含硫的5元杂单环基团，R1、R2、R3和R4为氢原子、低级烷基、苯基低级烷基或苯基，R5为氢原子或低级烷基，R6为羧基、保护的羧基、羟基或二(低级烷基)氨基，环A为取代或未取代的亚苯基，m为0或1，n为0至5的整数，条件是，当m为0时，(1)R1至R4中至少有一个为或为苯基低级烷基或苯基，(2)R1至R4中至少有一个为或为低级烷基，且R6为羟基，或(3)R1至R4全部为氢原子，且环A为取代的亚苯基，或其药学上可接受的盐。所述衍生物(I)及其药学上可接受的盐具有强效的血小板聚集抑制活性。
• Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP0325245A1

  公开（公告）日：1989-07-26

  Novel phenoxyacetic acid derivative of the formula: wherein R is a substituted or unsubstituted phenyl group, naphthyl group or a sulfur-containing 5-membered hetero-monocyclic group, R¹, R², R³ and R⁴ are hydrogen atom, a lower alkyl group, a phenyl-­lower alkyl group or phenyl group, R⁵ is hydrogen atom or a lower alkyl group, R⁶ is carboxyl group, a protected carboxyl group, hydroxy group or a di(lower alkyl)-amino group, Ring A is a substituted or unsubstituted phenylene group, m is 0 or 1 and n is an integer of 0 to 5, provided that, when m is 0, (1) at least either one of R¹ to R⁴ is or/are a phenyl-lower alkyl group or phenyl group, (2) at least either one of R¹to R⁴ is or/are a lower alkyl group, and R⁶ is hydroxy group, or (3) all of R¹ to R⁴ are hydrogen atom, and Ring A is a substituted phenylene group, or a pharmaceutically acceptable salt thereof are disclosed. Said derivative (I) and a pharmaceutically aceptable salt thereof have a potent platelet aggregation-inhibiting activity. The derivative (I) is used for the prophylaxis or treatment of thrombotic diseases in warm-blooded animals. The invention includes a variety of prepara­tion methods for the above derivative (I) and pharma­ceutical compositions comprising said derivative (I) in therapeutically effective amounts.

  式中的新型苯氧乙酸衍生物： 其中 R 是取代或未取代的苯基、萘基或含硫五元杂单环基团，R¹、R²、R³ 和 R⁴ 是氢原子、低级烷基、苯基-低级烷基或苯基、R⁵ 是氢原子或低级烷基，R⁶ 是羧基、受保护的羧基、羟基或二(低级烷基)氨基，环 A 是取代或未取代的亚苯基，m 是 0 或 1，n 是 0 至 5 的整数、 条件是，当 m 为 0 时 (1) R¹ 至 R⁴ 中至少有一个是或/是苯基低级烷基或苯基、 (2) R¹ 至 R⁴ 中至少有一个是或/是低级烷基，且 R⁶ 是羟基，或 (3) 所有 R¹ 至 R⁴ 均为氢原子，且环 A 为取代的亚苯基、 或其药学上可接受的盐。所述衍生物（I）及其药学上可接受的盐具有强效的血小板聚集抑制活性。衍生物（I）可用于预防或治疗温血动物的血栓性疾病。本发明包括上述衍生物（I）的各种制备方法和包含治疗有效量的上述衍生物（I）的药物组合物。
• IVAKUMA, TAKEHO;KAVAGUTI, TAKAYUKI;YAMASITA, TOEXARU;SASAKI, YASUXIKO;SIM+
  作者：IVAKUMA, TAKEHO、KAVAGUTI, TAKAYUKI、YAMASITA, TOEXARU、SASAKI, YASUXIKO、SIM+

  DOI：——

  日期：——
• US4948810A
  申请人：——

  公开号：US4948810A

  公开（公告）日：1990-08-14