2-(3-bromo-4-methylphenyl)-4,4-dimethyl-4,5-dihydrooxazole | 1154427-37-8

• 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: 2-(3-bromo-4-methylphenyl)-4,4-dimethyl-4,5-dihydrooxazole
• 英文别名: 2-(3-bromo-4-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
• CAS: 1154427-37-8
• 化学式: C₁₂H₁₄BrNO
• 分子量: 268.153
• InChiKey: RKIKZVILQLXPGO-UHFFFAOYSA-N

物化性质

• 沸点：
  330.1±35.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3-bromo-4-methylphenyl)-4,4-dimethyl-4,5-dihydrooxazole 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以0.7 g的产率得到4,4-dimethyl-2-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5-dihydrooxazole
  参考文献：
  名称：

  Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro-N-(2′-methyl-3′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide. Structure–Activity Relationship and Preclinical Characterization

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c01403
• 作为产物：
  描述：

  3-溴-4-甲基 苯甲酰氯 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 36.25h， 生成 2-(3-bromo-4-methylphenyl)-4,4-dimethyl-4,5-dihydrooxazole
  参考文献：
  名称：

  [EN] OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS
  [FR] MODULATEURS DE CANAUX CRAC À BASE D'OXAZOLE ET D'ISOXAZOLE

  摘要：

  公开号：

  WO2012056478A8

文献信息

• [EN] BETA-LACTAMASE INHIBITORS<br/>[FR] INHIBITEURS DE BÊTA-LACTAMASES
  申请人：PROTEZ PHARMACEUTICALS INC

  公开号：WO2009064413A1

  公开（公告）日：2009-05-22

  Disclosed herein are alpha-aminoboronic acids and their derivatives which act as inhibitors of beta-lactamases. Also disclosed herein are pharmaceutical compositions comprising alpha-aminoboronic acids and methods of use thereof.

  本文揭示了α-氨基硼酸及其衍生物，它们作为β-内酰胺酶的抑制剂。本文还揭示了包含α-氨基硼酸的药物组合物以及其使用方法。
• OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS
  申请人：Irlapati Nageswara Rao

  公开号：US20130225600A1

  公开（公告）日：2013-08-29

  The present invention relates to compounds of Formula (I) along with processes for their preparation that are useful for treating, preventing and/or managing the diseases, disorders, syndromes or conditions associated with the modulation of CRAC. The invention further relates to methods of treating, preventing managing and/or lessening the diseases, disorders, syndromes or conditions associated with the modulation of CRAC of Formula (I).

  本发明涉及式（I）的化合物及其制备方法，这些化合物对于治疗、预防和/或管理与CRAC调节相关的疾病、紊乱、综合症或状况是有用的。本发明还涉及使用式（I）的化合物治疗、预防、管理和/或减轻与CRAC调节相关的疾病、紊乱、综合症或状况的方法。
• CELL PERMEABLE, FLUORESCENT DYE
  申请人：ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL)

  公开号：US20160230011A1

  公开（公告）日：2016-08-11

  The invention pertains to a near-infrared fluorescent dye that is cell permeable and can be attached to selected proteins in living cells. The dye has the general formula or its corresponding spiro ac one wherein Y is chosen from the group consisting of Si, Ge and Sn; R 0 is —COO − or COOH; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 15 and R 16 are substituents, including hydrogen, independently from each other. The dye (i) absorbs and emits light at wavelengths above 600 nm; (ii) possesses high photostability; (iii) has high extinction coefficients and high quantum yields; (iv) can be derivatized with different molecules; and (v) is membrane-permeable and shows minimal background binding to biomolecules and biomolecular structures.

  本发明涉及一种近红外荧光染料，它具有细胞渗透性，并可以连接到活细胞中选择的蛋白质上。该染料具有下列通式或其相应的螺环化合物：其中Y选择自Si、Ge和Sn组成的群；R0为—COO−或COOH；R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R15和R16为取代基，包括氢，彼此独立。该染料(i)吸收和发射波长在600nm以上的光；(ii)具有高光稳定性；(iii)具有高消光系数和高量子产率；(iv)可以与不同分子衍生化；(v)具有膜渗透性并显示对生物分子和生物分子结构的最小背景结合。
• Oxazoline and isoxazoline derivatives as CRAC modulators
  申请人：Irlapati Nageswara Rao

  公开号：US09169242B2

  公开（公告）日：2015-10-27

  The present invention relates to compounds that are useful for treating, preventing and/or managing the diseases, disorders, syndromes or conditions associated with the modulation of CRAC and to processes for preparing these compounds. The invention further relates to methods of treating, preventing managing and/or lessening the diseases, disorders, syndromes or conditions associated with the modulation of CRAC by these compounds.

  本发明涉及用于治疗、预防和/或管理与CRAC调节相关的疾病、障碍、综合征或情况的化合物，并涉及制备这些化合物的过程。此外，本发明还涉及通过这些化合物治疗、预防、管理和/或减轻与CRAC调节相关的疾病、障碍、综合征或情况的方法。
• OXAZOLE AND ISOXAZOLE CRAC MODULATORS
  申请人：LUPIN LIMITED

  公开号：US20160022673A1

  公开（公告）日：2016-01-28

  The present invention relates to compounds of Formula (I) along with processes for their preparation that are useful for treating, preventing and/or managing the diseases, disorders, syndromes or conditions associated with the modulation of CRAC. The invention further relates to methods of treating, preventing managing and/or lessening the diseases, disorders, syndromes or conditions associated with the modulation of CRAC of Formula (I).

  本发明涉及公式（I）的化合物及其制备方法，用于治疗、预防和/或管理与CRAC调节相关的疾病、疾病、综合征或病况。本发明还涉及使用公式（I）的方法来治疗、预防、管理和/或减轻与CRAC调节相关的疾病、疾病、综合征或病况。