2-bromo-1-isobutyl-1H-imidazole | 1268143-41-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 2-bromo-1-isobutyl-1H-imidazole
• 英文别名: 2-bromo-1-(2-methylpropyl)imidazole
• CAS: 1268143-41-4
• 化学式: C₇H₁₁BrN₂
• 分子量: 203.082
• InChiKey: SJZPNUKOXYWYMA-UHFFFAOYSA-N

物化性质

• 沸点：
  265.6±23.0 °C(predicted)
• 密度：
  1.42±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  isopropyl trans-N-[4-[5-[4-amino-2-(ethylsulfamoyl)phenyl]thiazol-2-yl]cyclohexyl]carbamate 、 2-bromo-1-isobutyl-1H-imidazole 在 对甲苯磺酸 作用下， 以 正丁醇 为溶剂， 反应 12.0h， 生成 isopropyl trans-N-[4-[5-[2-(ethylsulfamoyl)-4-[(1-isobutylimidazol-2-yl)amino]phenyl]thiazol-2-yl]cyclohexyl]carbamate
  参考文献：
  名称：

  [EN] RAD51 INHIBITORS
  [FR] INHIBITEURS DE RAD51

  摘要：

  这项申请涉及由以下结构式（I）代表的RAD51抑制剂，以及它们的使用方法，例如用于治疗癌症、自身免疫疾病、免疫缺陷或神经退行性疾病。

  公开号：

  WO2020186006A1
• 作为产物：
  描述：

  2-溴-1H-咪唑 、 溴代异丁烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以97%的产率得到2-bromo-1-isobutyl-1H-imidazole
  参考文献：
  名称：

  [EN] RAD51 INHIBITORS
  [FR] INHIBITEURS DE RAD51

  摘要：

  这项申请涉及由以下结构式（I）代表的RAD51抑制剂，以及它们的使用方法，例如用于治疗癌症、自身免疫疾病、免疫缺陷或神经退行性疾病。

  公开号：

  WO2020186006A1

文献信息

• HIV INHIBITING PYRIMIDINES DERIVATIVES
  申请人：Guillemont Jérôme Emile Georges

  公开号：US20120076835A1

  公开（公告）日：2012-03-29

  This invention concerns HIV replication inhibitors of formula the N-oxides, the pharmaceutically acceptable addition salts, the quaternary amines and the stereochemically isomeric forms thereof; their use as a medicine, their processes for preparation and pharmaceutical compositions comprising them.

  这项发明涉及公式为N-氧化物、药学上可接受的加合物、季铵盐及其立体化学异构体的HIV复制抑制剂；它们作为药物的使用、它们的制备过程以及包含它们的制药组合物。
• RAD51 inhibitors
  申请人：Cyteir Therapeutics, Inc.

  公开号：US11247988B2

  公开（公告）日：2022-02-15

  This application is directed to inhibitors of RAD51 represented by the following structural formula, and methods for their use, such as to treat cancer, autoimmune diseases, immune deficiencies, or neurodegenerative diseases.

  本申请涉及以下列结构式为代表的 RAD51 抑制剂、 及其使用方法，如治疗癌症、自身免疫性疾病、免疫缺陷或神经退行性疾病。
• Pyrimidine derivatives for the prevention of hiv infection
  申请人：Heeres Jan

  公开号：US20070021449A1

  公开（公告）日：2007-01-25

  This invention concerns the use of a compound for the manufacture of a medicament for the prevention of HIV infection via sexual intercourse and related intimate contact between partners, wherein the compound is a compound of formula (I) a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein the ring containing -a 1 =a 2 -a 3 =a 4 - and -b 1 =b 2 -b 3 =b 4 - represents phenyl, pyridyl, pyrimidinyl, pirazinyl, pyridazinyl; and pharmaceutical compositions comprising them.
• PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION
  申请人：HEERES Jan

  公开号：US20100034810A1

  公开（公告）日：2010-02-11

  This invention concerns the use of a compound for the manufacture of a medicament for the prevention of HIV infection via sexual intercourse and related intimate contact between partners, wherein the compound is a compound of formula a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein the ring containing -a 1 =a 2 -a 3 =a 4 - and -b 1 =b 2 -b 3 =b 4 - represents phenyl, pyridyl, pyrimidinyl, pirazinyl, pyridazinyl; n is 0 to 5; m is 1 to 4; R 1 is hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; C 1-6 alkyl; C 1-6 alkyloxycarbonyl; substituted C 1-6 alkyl, C 1-6 alkylcarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylcarbonyloxy; substituted C 1-6 alkyloxyC 1-6 alkylcarbonyl; R 2 is hydroxy, halo, optionally substituted C 1-6 alkyl, C 3-7 cycloalkyl, optionally substituted C 2-6 alkenyl, optionally substituted C 2-6 alkynyl, C 1-6 alkyloxy, C 1-6 alkyloxycarbonyl, carboxyl, cyano, nitro, amino, mono- or di(C 1-6 alkyl)amino, polyhalomethyl, polyhalomethyloxy, polyhalomethylthio, —S(═O) p R 6 , —NH—S(═O) p R 6 , —C(═O)R 6 , —NHC(═O)H, —C(═O)NHNH 2 , —NHC(═O)R 6 , —C(═NH)R 6 or a 5-membered heterocycle; X 1 is —NR 5 —, —NH—NH—, —N═N—, —O—, —C(═O)—, C 1-4 alkanediyl, —CHOH—, —S—, —S(═O) p —, —X 2 —C 1-4 alkanediyl- or —C 1-4 alkanediyl-X 2 —; R 3 is NHR 13 ; NR 13 R 14 ; —C(═O)—NHR 13 ; —C(═O)—NR 13 R 14 ; —C(═O)—R 15 ; —CH═N—NH—C(═O)—R 16 ; substituted C 1-6 alkyl; optionally substituted C 1-6 alkyloxyC 1-6 alkyl; substituted C 2-6 alkenyl; substituted C 2-6 alkynyl; C 1-6 alkyl substituted with hydroxy and a second substituent; —C(═N—O—R 8 )—C 1-4 alkyl; R 7 ; or —X 3 —R 7 ; R 4 is halo, hydroxy, C 1-6 alkyl, C 3-7 cycloalkyl, C 1-6 alkyloxy, cyano, nitro, polyhaloC 1-6 alkyl, polyhaloC 1-6 alkyloxy, aminocarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylcarbonyl, formyl, amino, mono- or di(C 1-4 alkyl)amino; and pharmaceutical compositions comprising them.
• US20140343006A1
  申请人：——

  公开号：US20140343006A1

  公开（公告）日：2014-11-20