4-(4-formyl-2-methoxyphenoxy)-3-trifluoromethylbenzonitrile | 1055361-66-4

• 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-(4-formyl-2-methoxyphenoxy)-3-trifluoromethylbenzonitrile
• 英文别名: 4-(4-Formyl-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile
• CAS: 1055361-66-4
• 化学式: C₁₆H₁₀F₃NO₃
• 分子量: 321.256
• InChiKey: VZDUUSJCPIKZRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(4-formyl-2-methoxyphenoxy)-3-trifluoromethylbenzonitrile 在 偶氮二甲酸二异丙酯 、 sodium acetate 、 N,N-二异丙基乙胺 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 30.0h， 生成
  参考文献：
  名称：

  荧光探针化合物及其制备方法和应用

  摘要：

  本发明涉及生物分析领域，公开了一种荧光探针化合物及其制备方法和应用。一类荧光探针化合物，具有式(I)所示的结构，其中R为具有与氨基反应活性的有机荧光分子基团；本发明还提供了式(I)所示的荧光探针化合物的制备方法，包括以下步骤：在反应溶剂I和催化剂I存在的条件下，将式(II)所示的化合物和具有与氨基反应活性的有机荧光分子进行反应I；本发明提供的荧光探针化合物可有效检测待测样品与ERRα的结合能力，且准确性高、操作简单，可用于高通量快速筛查；

  公开号：

  CN113788830B
• 作为产物：
  描述：

  4-氟-3-三氟甲基苯腈 、 香草醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以1.4 g的产率得到4-(4-formyl-2-methoxyphenoxy)-3-trifluoromethylbenzonitrile
  参考文献：
  名称：

  荧光探针化合物及其制备方法和应用

  摘要：

  本发明涉及生物分析领域，公开了一种荧光探针化合物及其制备方法和应用。一类荧光探针化合物，具有式(I)所示的结构，其中R为具有与氨基反应活性的有机荧光分子基团；本发明还提供了式(I)所示的荧光探针化合物的制备方法，包括以下步骤：在反应溶剂I和催化剂I存在的条件下，将式(II)所示的化合物和具有与氨基反应活性的有机荧光分子进行反应I；本发明提供的荧光探针化合物可有效检测待测样品与ERRα的结合能力，且准确性高、操作简单，可用于高通量快速筛查；

  公开号：

  CN113788830B

文献信息

• SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS
  申请人：Gaul Michael

  公开号：US20080286265A1

  公开（公告）日：2008-11-20

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及化合物的公式（I），制备这些化合物的方法，组合物，中间体及其衍生物，用于治疗包括但不限于强直性脊柱炎，动脉粥样硬化，关节炎（如类风湿性关节炎，感染性关节炎，儿童关节炎，银屑病性关节炎，反应性关节炎），与骨相关的疾病（包括与骨形成有关的疾病），乳腺癌（包括对抗雌激素治疗无效的癌症），心血管疾病，软骨相关疾病（如软骨损伤/丧失，软骨退化，以及与软骨形成有关的疾病），软骨发育不全，软骨肉瘤，慢性背部损伤，慢性支气管炎，慢性炎症性气道疾病，慢性阻塞性肺病，糖尿病，能量稳态紊乱，痛风，假性痛风，脂质紊乱，代谢综合征，多发性骨髓瘤，肥胖，骨关节炎，成骨不全症，骨溶解性骨转移，软骨软化症，骨质疏松症，Paget病，牙周病，多肌痛风，Reiter综合征，重复性应激损伤，高血糖，血糖水平升高和胰岛素抵抗等病症的条件。
• SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators
  申请人：Gaul Michael

  公开号：US20080221179A1

  公开（公告）日：2008-09-11

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及式（I）的化合物，制备这些化合物的方法，组合物，中间体及其衍生物，并用于治疗包括但不限于强直性脊柱炎，动脉粥样硬化，关节炎（如类风湿性关节炎，感染性关节炎，儿童关节炎，银屑病性关节炎，反应性关节炎），与骨相关的疾病（包括与骨形成有关的疾病），乳腺癌（包括对抗雌激素治疗无效的癌症），心血管疾病，软骨相关疾病（如软骨损伤/缺失，软骨退变以及与软骨形成有关的疾病），软骨发育不良，软骨肉瘤，慢性背部损伤，慢性支气管炎，慢性炎性气道疾病，慢性阻塞性肺疾病，糖尿病，能量稳态紊乱，痛风，假性痛风，脂质紊乱，代谢综合征，多发性骨髓瘤，肥胖，骨关节炎，成骨不全症，骨转移性溶骨病，软骨软化症，骨质疏松症，帕金森病，牙周病，多肌痛风，Reiter综合征，重复性应力损伤，高血糖，血糖水平升高以及胰岛素抵抗等情况的治疗。
• SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS
  申请人：Gaul Michael

  公开号：US20090111855A1

  公开（公告）日：2009-04-30

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及式（I）化合物，制备这些化合物的方法、组合物、中间体和衍生物，用于治疗包括但不限于强直性脊柱炎、动脉粥样硬化、关节炎（如类风湿性关节炎、感染性关节炎、儿童关节炎、银屑病性关节炎、反应性关节炎）、骨相关疾病（包括与骨形成有关的疾病）、乳腺癌（包括对抗雌激素治疗无效的乳腺癌）、心血管疾病、软骨相关疾病（如软骨损伤/丢失、软骨退化和与软骨形成有关的疾病）、软骨发育不良、软骨肉瘤、慢性背部损伤、慢性支气管炎、慢性炎性气道疾病、慢性阻塞性肺疾病、糖尿病、能量稳态紊乱、痛风、假性痛风、脂质代谢紊乱、代谢综合征、多发性骨髓瘤、肥胖症、骨关节炎、成骨不全症、骨转移性溶骨性肿瘤、软骨软化症、骨质疏松症、帕吉特病、牙周病、多肌痛风和Reiter综合征、重复性应力损伤、高血糖、血糖水平升高和胰岛素抵抗等疾病。
• PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER
  申请人：Hasuoka Atsushi

  公开号：US20120196864A1

  公开（公告）日：2012-08-02

  A compound represented by the formula (I): wherein each symbol is as described in the specification, or a salt thereof has a superior activity as an estrogen-related receptor-α modulator, and is useful as a prophylactic or therapeutic agent for cancer.

  化合物的化学式为（I）：其中每个符号如规范中所述，或其盐具有优越的活性作为雌激素相关受体-α调节剂，并且可用作预防或治疗癌症的药物。
• Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators
  申请人：Janssen Pharmaceutica N.V.

  公开号：US08119669B2

  公开（公告）日：2012-02-21

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及式（I）化合物、制备这些化合物的方法、组合物、中间体和衍生物以及用于治疗包括但不限于强直性脊柱炎、动脉粥样硬化、关节炎（如类风湿性关节炎、感染性关节炎、儿童关节炎、银屑病性关节炎、反应性关节炎）、与骨形成有关的骨相关疾病、乳腺癌（包括对抗雌激素治疗无效的乳腺癌）、心血管疾病、软骨相关疾病（如软骨损伤/丧失、软骨退化以及与软骨形成有关的疾病）、软骨发育不良、软骨肉瘤、慢性背部损伤、慢性支气管炎、慢性炎性气道疾病、慢性阻塞性肺疾病、糖尿病、能量稳态紊乱疾病、痛风、假性痛风、脂质代谢紊乱、代谢综合征、多发性骨髓瘤、肥胖症、骨关节炎、成骨不全症、骨转移性溶解、佝偻病、骨质疏松症、帕吉特病、牙周病、多肌病性风湿痛、Reiter综合征、重复性应力损伤、高血糖、血糖升高水平和胰岛素抵抗等疾病的治疗。