4-(4-(tert-pentyl)phenoxy)benzoic acid

• 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-(tert-pentyl)phenoxy)benzoic acid
• 英文别名: 4-[4-(2-methylbutan-2-yl)phenoxy]benzoic acid
• 化学式: C₁₈H₂₀O₃
• 分子量: 284.355
• InChiKey: NUKQFQZBQLLZAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 4-(4-(tert-pentyl)phenoxy)benzoic acid 在 氯化亚砜 作用下， 反应 3.0h， 以94%的产率得到methyl 4-(4-(tert-pentyl)phenoxy)benzoate
  参考文献：
  名称：

  [EN] AROMATIC COMPOUNDS WHICH ENHANCE NOTCH SIGNALING, FOR USE IN THERAPY
  [FR] NOUVEAUX COMPOSÉS AROMATIQUES

  摘要：

  公开号：

  WO2018154118A3
• 作为产物：
  描述：

  ethyl 4-(4-(tert-pentyl)phenoxy)benzoate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 9.0h， 以87%的产率得到4-(4-(tert-pentyl)phenoxy)benzoic acid
  参考文献：
  名称：

  [EN] ENHANCERS OF NOTCH SIGNALING AND THEIR USE IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH
  [FR] ACTIVATEURS DE SIGNALISATION NOTCH ET LEUR UTILISATION DANS LE TRAITEMENT DE CANCERS ET DE MALIGNITÉS GUÉRISSABLES PAR RÉGULATION À LA HAUSSE DE NOTCH

  摘要：

  本发明涉及使用一种具有通式（I）和/或其药学上可接受的盐或酯的化合物，增强个体中的Notch信号传导，用于治疗选自皮肤病学疾病组的疾病，包括特应性皮炎、银屑病、免疫相关疾病、癌症、鳞状细胞癌、皮肤和肺鳞状细胞癌、头颈癌、非黑色素皮肤癌、基底细胞癌和日光性角化症、神经内分泌肿瘤、神经内分泌小细胞癌和类癌瘤、甲状腺癌、肌肉疾病肌萎缩和损伤后再生能力受损；用于癌症免疫治疗。

  公开号：

  WO2017158190A1

文献信息

• Enhancers of Notch signaling and the use thereof in the treatment of cancers and malignancies medicable by upregulation of Notch
  申请人：XENIOPRO GmbH

  公开号：US10772876B2

  公开（公告）日：2020-09-15

  The present invention relates to the use for enhancing Notch signaling in an individual, of a compound showing the general formula (I) and/or a pharmaceutically acceptable salt or ester thereof, for the treatment of a disease selected from the group of dermatological disorders including atopic dermatitis, psoriasis, immune related disorders, cancer, squamous cell carcinoma, cutaneous and lung squamous cell carcinoma, head and neck cancer, non-melanoma skin cancer, basal cell carcinoma and actinic keratosis, neuroendocrine tumors, neuroendocrine small cell carcinoma and carcinoid tumors, thyroid carcinomas, muscular disorders muscular dystrophy and impaired regeneration capacity after injury; use in immunotherapy for cancer.

  本发明涉及显示通式(I)的化合物和/或其药学上可接受的盐或酯在个体中增强Notch信号转导的用途，用于治疗选自皮肤病组的疾病，包括特应性皮炎、银屑病、免疫相关疾病、癌症、鳞状细胞癌、皮肤鳞状细胞癌和肺鳞状细胞癌、头颈癌、非黑色素瘤皮肤癌、基底细胞癌和光化性角化病、神经内分泌肿瘤、神经内分泌小细胞癌和类癌、甲状腺癌、肌肉疾病肌肉萎缩症和损伤后再生能力受损；用于癌症免疫疗法。
• ENHANCERS OF NOTCH SIGNALING AND THE USE THEREOF IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH
  申请人：XENIOPRO GmbH

  公开号：US20190083476A1

  公开（公告）日：2019-03-21

  The present invention relates to the use for enhancing Notch signaling in an individual, of a compound showing the general formula (I) and/or a pharmaceutically acceptable salt or ester thereof, for the treatment of a disease selected from the group of dermatological disorders including atopic dermatitis, psoriasis, immune related disorders, cancer, squamous cell carcinoma, cutaneous and lung squamous cell carcinoma, head and neck cancer, non-melanoma skin cancer, basal cell carcinoma and actinic keratosis, neuroendocrine tumors, neuroendocrine small cell carcinoma and carcinoid tumors, thyroid carcinomas, muscular disorders muscular dystrophy and impaired regeneration capacity after injury; use in immunotherapy for cancer.
• NOVEL AROMATIC COMPOUNDS
  申请人：XENIOPRO GMBH

  公开号：US20200031763A1

  公开（公告）日：2020-01-30

  The present invention comprises novel aromatic molecules, which can be used in the treatment of pathological conditions, such as cancer, skin diseases, muscle disorders, and immune system-related disorders such as disorders of the hematopoietic system including the hematologic system in human and veterinary medicine.
• ENHANCERS OF NOTCH SIGNALING AND THEIR USE THEREOF IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH
  申请人：XENIOPRO GmbH

  公开号：US20200360355A1

  公开（公告）日：2020-11-19

  The present invention relates to the use for enhancing Notch signaling in an individual, of a compound showing the general formula (I) and/or a pharmaceutically acceptable salt or ester thereof, for the treatment of a disease selected from the group of dermatological disorders including atopic dermatitis, psoriasis, immune related disorders, cancer, squamous cell carcinoma, cutaneous and lung squamous cell carcinoma, head and neck cancer, non-melanoma skin cancer, basal cell carcinoma and actinic keratosis, neuroendocrine tumors, neuroendocrine small cell carcinoma and carcinoid tumors, thyroid carcinomas, muscular disorders muscular dystrophy and impaired regeneration capacity after injury; use in immunotherapy for cancer.
• [EN] AROMATIC COMPOUNDS WHICH ENHANCE NOTCH SIGNALING, FOR USE IN THERAPY<br/>[FR] NOUVEAUX COMPOSÉS AROMATIQUES
  申请人：XENIOPRO GMBH

  公开号：WO2018154118A3

  公开（公告）日：2018-12-06