1-(5-tert-pentyl-[2]thienyl)-ethanone | 874533-75-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(5-tert-pentyl-[2]thienyl)-ethanone
• 英文别名: 1-(5-tert-Pentyl-[2]thienyl)-aethanon；1-[5-(2-Methylbutan-2-yl)thiophen-2-yl]ethanone
• CAS: 874533-75-2
• 化学式: C₁₁H₁₆OS
• 分子量: 196.313
• InChiKey: VVZARNDYAPMYEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(5-tert-pentyl-[2]thienyl)-ethanone 在 sodium hypochlorite 作用下， 生成 5-tert-pentyl-thiophene-2-carboxylic acid
  参考文献：
  名称：

  Acylation Studies in the Thiophene and Furan Series. V. Thiophene Carboxylic Acids and Semicarbazones Derived from Acetylthiophenes

  摘要：

  DOI：

  10.1021/ja01204a050
• 作为产物：
  描述：

  2-甲基-2-丁烯 在 三氯化铝 、 乙基磺酸 、 Petroleum ether 作用下， 生成 1-(5-tert-pentyl-[2]thienyl)-ethanone
  参考文献：
  名称：

  Hydrogen Transfer. IV.¹ Reaction of p-Isobutyltoluene and of p-s-Butyltoluene with Methylcyclohexene

  摘要：

  DOI：

  10.1021/ja01160a038

文献信息

• Substituted Pyrazalones
  申请人：Lee Wen-Cherng

  公开号：US20100056505A1

  公开（公告）日：2010-03-04

  The invention is related to compounds of formula (I) as antagonists of the TGFβ family type I receptors, Alk5 and/or AIk 4, compositions and methods of use. The compounds of formula (I) can be employed in the prevention and/or treatment of diseases such as fibrosis (e.g., renal fibrosis, pulmonary fibrosis, and hepatic fibrosis), progressive cancers, or other diseases for which reduction of TGFβ family signaling activity is desirable.

  该发明涉及式(I)的化合物作为TGFβ家族类型I受体Alk5和/或AIk 4的拮抗剂，以及使用的组合物和方法。式(I)的化合物可用于预防和/或治疗纤维化（如肾脏纤维化、肺部纤维化和肝脏纤维化）、进展性癌症或其他需要降低TGFβ家族信号活性的疾病。
• PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS
  申请人：Celgene International II Sarl

  公开号：EP3172199B1

  公开（公告）日：2020-07-01
• HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME
  申请人：Memorial Sloan Kettering Cancer Center

  公开号：US20180170883A1

  公开（公告）日：2018-06-21

  The present invention, among other things, provides compounds and compositions thereof for use in the modulation of Hsp70. In some embodiments, the present invention provides a method for inhibiting Hsp70 activity. In some embodiments, the present invention provides a method of treating a subject suffering from or susceptible to a disease, disorder, or condition responsive to Hsp70 inhibition comprising administering to the subject a therapeutically effective amount of a provided compound. In some embodiments, the present invention provides a method for treating or preventing cancer in a subject suffering therefrom, comprising administering to a patient in need thereof a therapeutically effective amount of a provided compound.