5-ethyl-4-phenyl-isoxazole | 103987-29-7

• 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: 5-ethyl-4-phenyl-isoxazole
• 英文别名: 5-Aethyl-4-phenyl-isoxazol；5-Ethyl-4-phenyl-1,2-oxazole；5-ethyl-4-phenyl-1,2-oxazole
• CAS: 103987-29-7
• 化学式: C₁₁H₁₁NO
• 分子量: 173.214
• InChiKey: VXFDKWSVMOAPIE-UHFFFAOYSA-N

物化性质

• 沸点：
  141 °C(Press: 17 Torr)
• 密度：
  1.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-ethyl-4-phenyl-isoxazole 在 sodium ethanolate 作用下， 生成 2-苯基-3-氧代戊腈
  参考文献：
  名称：

  Yasuda, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 623,626

  摘要：

  DOI：

文献信息

• PHARMACEUTICAL COMPOUND
  申请人：IOmet Pharma Ltd.

  公开号：US20170267668A1

  公开（公告）日：2017-09-21

  Provided is a tryptophan-2,3-dioxygenase (TDO) and/or indoleamine-2,3-dioxygenase (IDO) inhibitor compound for use in medicine, which compound comprises the following formula (I): wherein X 1 is selected from C and N; X 3 and X 5 may be the same or different and each is independently selected from C, N, O and S; Y is selected from N and O; Z is selected from C, N and O; each bond represented by a dotted line may independently be a double bond or a single bond, provided that valencies at each ring atom are maintained and provided that the ring Q contains at least one double bond and provided that the atom N has a double bond; R 3 and R 5 may be present or absent and may be the same or different and each is independently selected from H and a substituted or unsubstituted organic group, provided that the number of R 3 groups present is such that the valency of X 3 is maintained, and the number of R 5 groups present is such that the valency of X 5 is maintained; each R 11 and R 12 may be present or absent and may be the same or different and each is independently selected from H and a substituted or unsubstituted organic group, provided that the number of R 11 and R 12 groups present is such that the valency of Z is maintained; R 21 is selected from H and a substituted or unsubstituted organic group; R 22 may be present or absent and is selected from H and a substituted or unsubstituted organic group; and Cy is a cyclic organic group.
• Yasuda, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 623,626
  作者：Yasuda

  DOI：——

  日期：——