4-(4-(tert-butyl)phenoxy)benzoic acid | 925005-92-1

• 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-butyl)phenoxy)benzoic acid
• 英文别名: 4-(4-Tert-butylphenoxy)benzoic acid
• CAS: 925005-92-1
• 化学式: C₁₇H₁₈O₃
• 分子量: 270.328
• InChiKey: UQGVRGHSAYWFRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  4-(4-(tert-butyl)phenoxy)benzoic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.0h， 生成 4-(4-(tert-butyl)phenoxy)-N,N-dimethylbenzamide
  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-butyl)phenoxy)benzate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以93%的产率得到4-(4-(tert-butyl)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

• Flying-seed-like liquid crystals 3: new guideline for the induction of mesomorphism by using bulky groups instead of long alkyl chains
  作者：Ayaha Hachisuga、Miho Yoshioka、Kazuchika Ohta、Tomoyuki Itaya

  DOI：10.1039/c3tc30584h

  日期：——

  mesomorphism can be induced by the substitution of bulky groups instead of long alkyl chains, and that the balance of the core size and the bulkiness of the substituents is very important to obtain mesomorphism in flying-seed-like compounds. We believe that this is a new guideline for the induction of mesomorphism by using bulky groups instead of long alkyl chains.

  在我们之前的工作中，我们合成了一系列基于酞菁的飞行种子样化合物（n nnnPh-PhO）4 444PcCu（n = 3、2、1和0在n nnnnnnnnnnnnnnnnnnPhPhO：a–d中），并且揭示了它们中的每一个都显示出从室温到接近500°C的极高温度的柱状液晶相（Col ho或Col rho）。因此，我们可以通过使用庞大的取代基（a–d）代替长烷基链来获得盘状化合物的柱状液晶相。为了进一步研究这些大取代基的作用（a–d）在诱导其他形状分子的同构作用上，我们合成了新型的飞籽状cal族苯氧基苯甲酸衍生物n nnnnPh-PhOBA（3a–d）及其三菱标记形状的b络合物（n nnPh-PhOBA ）3 33Tb· m mmMeOH（4a–d），在这项工作中。非常有趣的是，苯氧基助剂衍生物的介晶Ñ nnnnPh-PhOBA（Ñ = 0-3）被诱导，以显示中间相（M X）仅由体积大的取代d（Ñ=
• 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.
• 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.