tert-butyl [5-(1-hydroxy-1-methylethyl)-4-trifluoromethyl-1,3-thiazol-2-yl]carbamate | 804482-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl [5-(1-hydroxy-1-methylethyl)-4-trifluoromethyl-1,3-thiazol-2-yl]carbamate
• 英文别名: tert-butyl (5-(2-hydroxy-propan-2-yl)-4-(trifluoromethyl)thiazol-2-yl)carbamate；Tert-butyl (5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)thiazol-2-yl)carbamate；tert-butyl N-[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
• CAS: 804482-35-7
• 化学式: C₁₂H₁₇F₃N₂O₃S
• 分子量: 326.34
• InChiKey: JPGNYQLRLWKFFO-UHFFFAOYSA-N

物化性质

• 密度：
  1.346±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  99.7
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tert-butyl [5-(1-hydroxy-1-methylethyl)-4-trifluoromethyl-1,3-thiazol-2-yl]carbamate 在 三乙基硅烷 、 三氟乙酸 作用下， 反应 2.0h， 以100%的产率得到5-isopropyl-4-trifluoromethyl-1,3-thiazol-2-amine
  参考文献：
  名称：

  Studies of nonnucleoside HIV-1 reverse transcriptase inhibitors. Part 1: Design and synthesis of thiazolidenebenzenesulfonamides

  摘要：

  A random high-throughput screening (HTS) program to discover novel normucleoside reverse transcriptase inhibitors (NNRTIs) has been carried out with MT-4 cells against a nevirapine-resistant virus, HIV-1(IIIB-R). The primary hit, a thiazolidene-benzenesulfonamide derivative, possessed good activity. A systematic modification program examining various substituents at the 3-, 4-, and 5-positions on the thiazole ring afforded compounds with enhanced anti-HIV-1 and reverse transcriptase (RT) inhibitory activities. These results confirm the important role of the substituents at these positions and the thiazolidenebenzenesulfonamide motif as a valuable lead series for the next generation NNRTIs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.08.050
• 作为产物：
  描述：

  2-氨基-4-(三溴甲基)-5-噻唑羧酸乙酯 在 4-二甲氨基吡啶 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.5h， 生成 tert-butyl [5-(1-hydroxy-1-methylethyl)-4-trifluoromethyl-1,3-thiazol-2-yl]carbamate
  参考文献：
  名称：

  Studies of nonnucleoside HIV-1 reverse transcriptase inhibitors. Part 1: Design and synthesis of thiazolidenebenzenesulfonamides

  摘要：

  A random high-throughput screening (HTS) program to discover novel normucleoside reverse transcriptase inhibitors (NNRTIs) has been carried out with MT-4 cells against a nevirapine-resistant virus, HIV-1(IIIB-R). The primary hit, a thiazolidene-benzenesulfonamide derivative, possessed good activity. A systematic modification program examining various substituents at the 3-, 4-, and 5-positions on the thiazole ring afforded compounds with enhanced anti-HIV-1 and reverse transcriptase (RT) inhibitory activities. These results confirm the important role of the substituents at these positions and the thiazolidenebenzenesulfonamide motif as a valuable lead series for the next generation NNRTIs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.08.050

文献信息

• NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：US20160244444A1

  公开（公告）日：2016-08-25

  To provide a compound having an inhibitory activity for an androgen receptor. A tetrahydropyridopyrimidine compound represented by the following general formula (I) or a pharmaceutically acceptable thereof (in the formula, X and R are as defined in the specification).

  提供一种具有抑制雄激素受体活性的化合物。该化合物为以下通式（I）所代表的四氢吡啶嘧啶化合物或其药学上可接受的衍生物（其中，X和R如规范中所定义）。
• Tetrahydropyridopyrimidine compound or salt thereof
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：US10300067B2

  公开（公告）日：2019-05-28

  A method for inhibiting androgen activity, including administering an effective amount of a tetrahydropyridopyrimidine compound of formula (I) or a pharmaceutically acceptable salt thereof to a subject in need thereof, and a method for treating tumor, including administering an effective amount of a tetrahydropyridopyrimidine compound of formula (I) or a pharmaceutically acceptable salt thereof to a subject in need thereof

  一种抑制雄激素活性的方法，包括向有需要的受试者施用有效量的式(I)四氢吡啶嘧啶化合物或其药学上可接受的盐，以及一种治疗肿瘤的方法，包括向有需要的受试者施用有效量的式(I)四氢吡啶嘧啶化合物或其药学上可接受的盐
• JP5851663
  申请人：——

  公开号：——

  公开（公告）日：——
• US9662333B2
  申请人：——

  公开号：US9662333B2

  公开（公告）日：2017-05-30
• US9889136B2
  申请人：——

  公开号：US9889136B2

  公开（公告）日：2018-02-13