913827-99-3

• 常用中文名：CS 2100
• 常用英文名：CS 2100
• CAS号：913827-99-3
• 分子式：C₂₅H₂₃N₃O₄S
• 分子量：461.53
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 LPL受体
• 发布时间：2017-09-24 03:30:21
• 更新时间：2024-02-03 10:55:16
• CS-2100(化合物10b)是一种有效、选择性、口服活性和S1P3保留的S1P1激动剂,对人S1P1的EC50为4.0 nM。CS-2100对HvGR的ID50(感染剂量)为0.407 mg/kg的大鼠显示出体内免疫抑制效果【1】。

名称

• 英文名: 1-({4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thieny l}methyl)-3-azetidinecarboxylic acid
• 英文别名: 1-({4-[1-(3-oxo-3-phenyl-propyl)-1H-benzoimidazol-2-ylmethyl]-piperazin-1-yl}-acetyl)-pyrrolidine; 1-({4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid; Pyrrolidine,1-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl); 1-(2'-Benzoyleth-1'-yl)-2-(4''-pyrrolidinocarbonylmethylpiperazine-1''-ylmethyl)benzimidazole

物化性质

• 分子式: C₂₅H₂₃N₃O₄S
• 分子量: 461.53
• 精确质量: 461.14100
• PSA: 116.93000
• LogP: 5.27410

生物活性

• 描述: CS-2100(化合物10b)是一种有效、选择性、口服活性和S1P3保留的S1P1激动剂,对人S1P1的EC50为4.0 nM。CS-2100对HvGR的ID50(感染剂量)为0.407 mg/kg的大鼠显示出体内免疫抑制效果【1】。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> LPL受体
  研究领域 >> 炎症/免疫
• 靶点:

  EC50: 4.0 nM (human S1P1)[1]

• 参考文献:

  [1]. Nakamura T, et al. Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1788-92.

合成路线

913828-81-6 ~% 913827-99-3

文献：Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98

1028947-14-9 ~% 913827-99-3

文献：Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98

913828-82-7 ~% 913827-99-3

文献：Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98

913828-83-8 ~% 913827-99-3

文献：Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98

913828-80-5 ~% 913827-99-3

文献：Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98

230623-72-0 ~% 913827-99-3

文献：Nakamura, Tsuyoshi; Asano, Masayoshi; Sekiguchi, Yukiko; Mizuno, Yumiko; Tamaki, Kazuhiko; Nara, Futoshi; Kawase, Yumi; Yabe, Yoshiyuki; Nakai, Daisuke; Kamiyama, Emi; Urasaki-Kaneno, Yoko; Shimozato, Takaichi; Doi-Komuro, Hiromi; Kagari, Takashi; Tomisato, Wataru; Inoue, Ryotaku; Nagasaki, Miyuki; Yuita, Hiroshi; Oguchi-Oshima, Keiko; Kaneko, Reina; Nishi, Takahide European Journal of Medicinal Chemistry, 2012 , vol. 51, p. 92 - 98