4-isopropyl-2-phenylaminothiazole | 110960-37-7

• 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: 4-isopropyl-2-phenylaminothiazole
• 英文别名: N-phenyl-4-propan-2-yl-1,3-thiazol-2-amine
• CAS: 110960-37-7
• 化学式: C₁₂H₁₄N₂S
• 分子量: 218.323
• InChiKey: YDEWIVFCPOKNFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-isopropyl-2-phenylaminothiazole 、 三氟乙酸酐 以 甲苯 为溶剂， 反应 24.0h， 生成 4-isopropyl-2-(N-phenyl)trifluoroacetamidothiazole
  参考文献：
  名称：

  Bramley, (Miss) Susan E.; Dupplin, Viscount; Goberdhan, Dhanesh G. C., Journal of the Chemical Society. Perkin transactions I, 1987, p. 639 - 644

  摘要：

  DOI：
• 作为产物：
  描述：

  1-chloro-3-methylbutan-2-one 、 苯基硫脲 在 ammonium hydroxide 、 magnesium sulfate 作用下， 生成 4-isopropyl-2-phenylaminothiazole
  参考文献：
  名称：

  Bramley, (Miss) Susan E.; Dupplin, Viscount; Goberdhan, Dhanesh G. C., Journal of the Chemical Society. Perkin transactions I, 1987, p. 639 - 644

  摘要：

  DOI：

文献信息

• Viral Polymerase Inhibitors
  申请人：Beaulieu Pierre Louis

  公开号：US20090087409A1

  公开（公告）日：2009-04-02

  An isomer, enantiomer, diastereoisomer or tautomer of a compound, represented by formula I: wherein: A is O, S, NR 1 , or CR 1 , wherein R 1 is defined herein; represents either a single or a double bond; R 2 is selected from: H, halogen, R 21 , OR 21 , SR 21 , COOR 21 , SO 2 N(R 22 ) 2 , N(R 22 ) 2 , CON(R 22 ) 2 , NR 22 C(O)R 22 or NR 22 C(O)NR 22 wherein R 21 and each R 22 is defined herein; B is NR 3 or CR 3 , with the proviso that one of A or B is either CR 1 or CR 3 , wherein R 3 is defined herein; K is N or CR 4 , wherein R 4 is defined herein; L is N or CR 5 , wherein R 5 has the same definition as R 4 ; M is N or CR 7 , wherein R 7 has the same definition as R 4 ; Y 1 is O or S; Z is N(R 6a )R 6 or OR 6 , wherein R 6a is H or alkyl or NR 61 R 62 wherein R 61 and R 62 are defined herein; and R 6 is H, alkyl, cycloalkyl, alkenyl, Het, alkyl-aryl, alkyl-Het; or R 6 is wherein R 7 and R 8 and Q are as defined herein; Y 2 is O or S; R 9 is H, (C 1-6 alkyl), (C 3-7 )cycloalkyl or (C 1-6 )alkyl-(C 3-7 )cycloalkyl, aryl, Het, (C 1-6 )alkyl-aryl or (C 1-6 )alkyl-Het, all of which optionally substituted with R 90 ; or R 9 is covalently bonded to either of R 7 or R 8 to form a 5- or 6-membered heterocycle; a salt or a derivative thereof, as an inhibitor of HCV NS5B polymerase.

  化合物的同分异构体、对映异构体、非对映异构体或互变异构体，由公式I表示：其中：A为O、S、NR1或CR1，其中R1在此定义；表示单键或双键；R2选自：H、卤素、R21、OR21、SR21、COOR21、SO2N（R22）2、N（R22）2、CON（R22）2、NR22C（O）R22或NR22C（O）NR22，其中R21和每个R22在此定义；B为NR3或CR3，但A或B中的一个为CR1或CR3，其中R3在此定义；K为N或CR4，其中R4在此定义；L为N或CR5，其中R5具有与R4相同的定义；M为N或CR7，其中R7具有与R4相同的定义；Y1为O或S；Z为N（R6a）R6或OR6，其中R6a为H或烷基，或NR61R62，其中R61和R62在此定义；R6为H、烷基、环烷基、烯基、Het、烷基-芳基、烷基-Het；或R6为，其中R7、R8和Q在此定义；Y2为O或S；R9为H、（C1-6）烷基、（C3-7）环烷基或（C1-6）烷基-（C3-7）环烷基、芳基、Het、（C1-6）烷基-芳基或（C1-6）烷基-Het，其中所有这些都可以选择地用R90取代；或R9与R7或R8中的任意一个共价键结合形成5-或6-成员杂环；其盐或衍生物，作为HCV NS5B聚合酶的抑制剂。
• Gonadotropin-releasing hormone receptor antagonists and methods relating thereto
  申请人：Zhu Yun-Fei

  公开号：US20070208049A1

  公开（公告）日：2007-09-06

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein A, Q, R 1 , R 2 , R 3a , R 3b , R 4 , R 5 , R 6 and n are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了GnRH受体拮抗剂，其在治疗男女性激素相关疾病方面具有用途。本发明的化合物具有以下结构：其中A、Q、R1、R2、R3a、R3b、R4、R5、R6和n的定义如本文所述，包括立体异构体、前药和其药学上可接受的盐。本发明还揭示了含有本发明化合物与药学上可接受的载体组合的组合物，以及与其相关的方法，用于在需要时对抗促性腺激素释放激素。
• Methods to treat lymphoplasmacytic lymphoma
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10597387B2

  公开（公告）日：2020-03-24

  The present invention provides compounds of any one of Formulae (I) to (V) (e.g., compounds of any one of Formulae (I-1) to (I-9)), and methods for treating Waldenström's macroglobulinemia (WM) and other B cell neoplams in a subject using the compounds. The methods comprise administering to a subject in need thereof an effective amount of the compounds. Also provided are methods to treat B cell neoplasms using the compounds in combination with inhibitors of Bruton's tyrosine kinase (BTK), interleukin-1 receptor-associated kinase 1 (IRAK1), interleukin-1 receptor-associated kinase 4 (IRAK4), bone marrow on X chromosome kinase (BMX), phosphoinositide 3-kinase (PI3K), transforming growth factor b-activated kinase-1 (TAK1), and/or a Src family kinase.

  本发明提供了式(I)至(V)中任一项的化合物(例如，式(I-1)至(I-9)中任一项的化合物)，以及使用这些化合物治疗受试者的瓦尔登斯特伦巨球蛋白血症(WM)和其他B细胞肿瘤的方法。这些方法包括向有需要的受试者施用有效量的化合物。还提供了使用化合物与布鲁顿酪氨酸激酶（BTK）、白介素-1 受体相关激酶 1（IRAK1）抑制剂联合治疗 B 细胞肿瘤的方法、白细胞介素-1 受体相关激酶 4 (IRAK4)、骨髓 X 染色体激酶 (BMX)、磷酸肌醇 3- 激酶 (PI3K)、转化生长因子 b 激活激酶-1 (TAK1)和/或 Src 家族激酶的抑制剂。
• Modulation of CCR4 function
  申请人：Tularik Inc.

  公开号：US20020173524A1

  公开（公告）日：2002-11-21

  Compounds and compositions are provided that bind to the CCR4 chemokine receptor and which are useful for treating diseases associated with CCR4 activity, such as contact hypersensitivity.

  所提供的化合物和组合物与 CCR4 趋化因子受体结合，可用于治疗与 CCR4 活性相关的疾病，如接触过敏症。
• Ccr4 antagonists
  申请人：Tularik Inc.

  公开号：US20030018022A1

  公开（公告）日：2003-01-23

  Compounds, compositions and methods are provided that are useful in the treatment of chemokine receptor-mediated conditions and diseases. In particular, the invention provides compounds which modulate CCR4 function or a CCR4-mediated response. The subject compounds and compositions are useful for the treatment or prevention of inflammatory conditions and diseases.

  本发明提供了可用于治疗趋化因子受体介导的病症和疾病的化合物、组合物和方法。特别是，本发明提供了调节 CCR4 功能或 CCR4 介导的反应的化合物。本发明的化合物和组合物可用于治疗或预防炎症和疾病。