1-(2-Hydroxy-4-methyl-phenyl)-3-phenyl-urea | 25761-57-3

• 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: 1-(2-Hydroxy-4-methyl-phenyl)-3-phenyl-urea
• 英文别名: 1-(2-Hydroxy-4-methylphenyl)-3-phenylurea
• CAS: 25761-57-3
• 化学式: C₁₄H₁₄N₂O₂
• 分子量: 242.277
• InChiKey: RYHCVVHXSUIOMO-UHFFFAOYSA-N

物化性质

• 沸点：
  309.8±35.0 °C(Predicted)
• 密度：
  1.312±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  61.4
• 氢给体数：
  3
• 氢受体数：
  2

文献信息

• The use of substituted carbocyclic compounds as rotamases inhibitors
  申请人：Jerini AG

  公开号：EP1402888A1

  公开（公告）日：2004-03-31

  The present invention is related to the use of a compound as an inhibitor to a rotamase, whereby the compound has the structure:         A-X-Y     (I) wherein A is cycloalkyl, substituted cycloalkyl, heterocyclyl, substituted heterocyclyl, aryl, substituted aryl, heteroaryl or substituted heteroaryl; X is a spacer and is selected from X1 or X2, wherein X1 is selected from the group comprising -[(CRaRb)n-NRc-CO-NRd-(CRaRb)m]t-, -[(CRaRb)n-NRc-CS-NRd-(CRaRb)m]t-, -[(CRaRb)n-NRc-C(N-CN)-NRd-(CRaRb)m]t-, -[(CRaRb)n-NRc-C(N-Re)-NRd-(CRaRb)m]t-, -[(CRaRb)n-CO-NRc-(CRaRb)m]t-, -[(CRaRb)n-NRc-(CRaRb)m]t-, -[(CRaRb)n-NRc-CO-O-(CRaRb)m]t-, -[(CRaRb)n-O-CO-NRc-(CRaRb)m]t-, -[(CRaRb)n-O-(CRaRb)m]t-, -[(CRaRb)n-SRc-(CRaRb)m]t-; wherein X2 is selected from the group comprising - [(CRaRb)n-CO-(CRaRb)m]t-, -[(CRaRb)n-CS-(CRaRb)m]t-, -[(CRaRb)n-NRc-CO-(CRaRb)m]t-, -[(CRaRb)n-CO-NRc-(CRaRb)m]t-, -[(CRaRb)n-NRc-CS-(CRaRb)m]t-, -[(CRaRb)n-CS-NRc-(CRaRb)m]t-, -[(CRaRb)n-NRc-SO2-(CRaRb)m]t-, -[(CRaRb)n-SO2-NRc-(CRaRb)m]t-, -[(CRaRb)n-SO-(CRaRb)m]t-, -[(CRaRb)n-SO2-(CRaRb)m]t-, -[(CRaRb)n]t-; wherein n and m are independently selected from each other and are any integer between 0 and 10 provided that if n is 0, m is different from 0, and if m is 0, n is different from 0; wherein t is independently selected from n and/or m and is any integer between 0 and 10; wherein Ra, Rb, Rc, Rd and Re are independently from each other selected from the group comprising H, alkyl, cycloalkyl, aryl, heteroaryl and heterocyclyl; and wherein Y is selected from the group comprising alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, cycloalkenyl, substituted cycloalkenyl, heterocyclyl, substituted heterocyclyl, mono-unsaturated heterocyclyl, poly-unsaturated heterocyclyl, mono-substituted poly-unsaturated heterocyclyl, poly-substituted poly-unsaturated heterocyclyl, aryl, substituted aryl, heteroaryl and substituted heteroaryl, wherein Y is different from a peptide.

  本发明涉及将某种化合物作为旋转酶的抑制剂使用，其中该化合物具有以下结构：        A-X-Y     (I)其中A为环烷基、取代环烷基、杂环烷基、取代杂环烷基、芳基、取代芳基、杂芳基或取代杂芳基；X为间隔物，可从X1或X2中选择，其中X1可从以下组中选择：-[(CRaRb)n-NRc-CO-NRd-(CRaRb)m]t-，-[(CRaRb)n-NRc-CS-NRd-(CRaRb)m]t-，-[(CRaRb)n-NRc-C(N-CN)-NRd-(CRaRb)m]t-，-[(CRaRb)n-NRc-C(N-Re)-NRd-(CRaRb)m]t-，-[(CRaRb)n-CO-NRc-(CRaRb)m]t-，-[(CRaRb)n-NRc-(CRaRb)m]t-，-[(CRaRb)n-NRc-CO-O-(CRaRb)m]t-，-[(CRaRb)n-O-CO-NRc-(CRaRb)m]t-，-[(CRaRb)n-O-(CRaRb)m]t-，-[(CRaRb)n-SRc-(CRaRb)m]t-；其中X2可从以下组中选择：-[(CRaRb)n-CO-(CRaRb)m]t-，-[(CRaRb)n-CS-(CRaRb)m]t-，-[(CRaRb)n-NRc-CO-(CRaRb)m]t-，-[(CRaRb)n-CO-NRc-(CRaRb)m]t-，-[(CRaRb)n-NRc-CS-(CRaRb)m]t-，-[(CRaRb)n-CS-NRc-(CRaRb)m]t-，-[(CRaRb)n-NRc-SO2-(CRaRb)m]t-，-[(CRaRb)n-SO2-NRc-(CRaRb)m]t-，-[(CRaRb)n-SO-(CRaRb)m]t-，-[(CRaRb)n-SO2-(CRaRb)m]t-，-[(CRaRb)n]t-；其中n和m相互独立选择，为0到10之间的任意整数，条件是如果n为0，则m与0不同，如果m为0，则n与0不同；其中t从n和/或m中独立选择，为0到10之间的任意整数；其中Ra、Rb、Rc、Rd和Re相互独立选择，可从H、烷基、环烷基、芳基、杂芳基和杂环烷基中选择；Y可从烷基、取代烷基、环烷基、取代环烷基、环烯基、取代环烯基、杂环烷基、取代杂环烷基、单不饱和杂环烷基、多不饱和杂环烷基、单取代多不饱和杂环烷基、多取代多不饱和杂环烷基、芳基、取代芳基、杂芳基和取代杂芳基中选择，其中Y与肽不同。
• New compounds for the inhibition of undesired cell proliferation and use thereof
  申请人：Jerini AG

  公开号：EP1402887A1

  公开（公告）日：2004-03-31

  The present invention is related to the use of a compound for the manufacture of a medicament for the treatment of a disease, whereby the disease involves an abnormal cell proliferation, an undesired cell proliferation, an abnormal mitosis and/or an undesired mitosis. whereby the compound has the structure:         A-X-Y     (I) wherein A is cycloalkyl, substituted cycloalkyl, heterocyclyl, substituted heterocyclyl, aryl, substituted aryl, heteroaryl or substituted heteroaryl; X is a spacer and is selected from X1 or X2, wherein X1 is selected from the group comprising -[(CRaRb)n-NRc-CO-NRd-(CRaRb)m]t-, [(CRaRb)n-NRc-CS-NRd-(CRaRb)m]t-, -[(CRaRb)n-NRc-C(N-CN)-NRd-(CRaRb)m]t-, -[(CRaRb)n-NRc-C(N-Re)-NRd-(CRaRb)m]t-, -[(CRaRb)n-CO-NRc-(CRaRb)m]t-, -[(CRaRb)n-NRc-(CRaRb)m]t-, -[(CRaRb)n-NRc-CO-O-(CRaRb)m]t-, -[(CRaRb)n-O-CO-NRc-(CRaRb)m]t-, -[(CRaRb)n-O-(CRaRb)m]t-, -[(CRaRb)n-SRc-(CRaRb)m]t-; wherein X2 is selected from the group comprising -[(CRaRb)n-CO-(CRaRb)m]t-, -[(CRaRb)n-CS-(CRaRb)m]t-, -[(CRaRb)n-NRc-CO-(CRaRb)m]t-, -[(CRaRb)n-CO-NRc-(CRaRb)m]t-, -[(CRaRb)n-NRc-CS-(CRaRb)m]t-, -[(CRaRb)n-CS-NRc-(CRaRb)m]t-, -[(CRaRb)n-NRc-SO2-(CRaRb)m]t-, -[(CRaRb)n-SO2-NRc-(CRaRb)m]t-, -[(CRaRb)n-SO-(CRaRb)m]t-, -[(CRaRb)n-SO2-(CRaRb)m]t-, -[(CRaRb)n]t-; wherein n and m are independently selected from each other and are any integer between 0 and 10 provided that if n is 0, m is different from 0, and if m is 0, n is different from 0; wherein t is independently selected from n and/or m and is any integer between 0 and 10; wherein Ra, Rb, Rc, Rd and Re are independently from each other selected from the group comprising H, alkyl, cycloalkyl, aryl, heteroaryl and heterocyclyl; and wherein Y is selected from the group comprising alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, cycloalkenyl, substituted cycloalkenyl, heterocyclyl, substituted heterocyclyl, mono-unsaturated heterocyclyl, poly-unsaturated heterocyclyl, mono-substituted poly-unsaturated heterocyclyl, poly-substituted poly-unsaturated heterocyclyl, aryl, substituted aryl, heteroaryl and substituted heteroaryl, wherein Y is different from a peptide.

  本发明涉及一种化合物用于制造治疗疾病的药物，其中该疾病涉及异常细胞增殖、不良细胞增殖、异常有丝分裂和/或不良有丝分裂，其中该化合物具有以下结构：A-X-Y（I），其中A为环烷基、取代环烷基、杂环烷基、取代杂环烷基、芳香族、取代芳香族、杂芳香族或取代杂芳香族；X为间隔物，选择自X1或X2，其中X1选择自包括-[(CRaRb)n-NRc-CO-NRd-(CRaRb)m]t-、[(CRaRb)n-NRc-CS-NRd-(CRaRb)m]t-、-[(CRaRb)n-NRc-C(N-CN)-NRd-(CRaRb)m]t-、-[(CRaRb)n-NRc-C(N-Re)-NRd-(CRaRb)m]t-、-[(CRaRb)n-CO-NRc-(CRaRb)m]t-、-[(CRaRb)n-NRc-(CRaRb)m]t-、-[(CRaRb)n-NRc-CO-O-(CRaRb)m]t-、-[(CRaRb)n-O-CO-NRc-(CRaRb)m]t-、-[(CRaRb)n-O-(CRaRb)m]t-、-[(CRaRb)n-SRc-(CRaRb)m]t-；其中X2选择自包括-[(CRaRb)n-CO-(CRaRb)m]t-、-[(CRaRb)n-CS-(CRaRb)m]t-、-[(CRaRb)n-NRc-CO-(CRaRb)m]t-、-[(CRaRb)n-CO-NRc-(CRaRb)m]t-、-[(CRaRb)n-NRc-CS-(CRaRb)m]t-、-[(CRaRb)n-CS-NRc-(CRaRb)m]t-、-[(CRaRb)n-NRc-SO2-(CRaRb)m]t-、-[(CRaRb)n-SO2-NRc-(CRaRb)m]t-、-[(CRaRb)n-SO-(CRaRb)m]t-、-[(CRaRb)n-SO2-(CRaRb)m]t-、-[(CRaRb)n]t-；其中n和m彼此独立选择且为0和10之间的任意整数，条件是如果n为0，则m不等于0，如果m为0，则n不等于0；其中t独立选择自n和/或m，为0和10之间的任意整数；其中Ra、Rb、Rc、Rd和Re独立于彼此选择自包括H、烷基、环烷基、芳香族、杂芳香族和杂环烷基；Y选择自包括烷基、取代烷基、环烷基、取代环烷基、环烷烯基、取代环烷烯基、杂环烷基、取代杂环烷基、单不饱和杂环烷基、多不饱和杂环烷基、单取代多不饱和杂环烷基、多取代多不饱和杂环烷基、芳香族、取代芳香族、杂芳香族和取代杂芳香族，其中Y与肽不同。
• [EN] IL-8 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RECEPTEURS D'IL-8
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：WO1996025157A1

  公开（公告）日：1996-08-22

  (EN) This invention relates to the novel use of phenyl ureas in the treatment of disease states mediated by the chemokine, Interleukin-8 (IL-8).(FR) Cette invention se rapporte à une nouvelle utilisation des urées phényliques dans le traitement d'états pathologiques dont le médiateur est la chimiokine, appelée interleukine-8 (IL-8).

  该发明涉及苯基脲在治疗由趋化因子Interleukin-8 (IL-8)介导的疾病状态中的新用途。(中文翻译)
• [EN] CELL ADHESION INHIBITORS<br/>[FR] INHIBITEURS DE L'ADHERENCE CELLULAIRE
  申请人：BIOGEN, INC.

  公开号：WO1996022966A1

  公开（公告）日：1996-08-01

  (EN) The present invention relates to novel compounds that are useful for inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention also relates to pharmaceutical formulations comprising these compounds and methods of using them for inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. The compounds and pharmaceutical compositions of this invention can be used as therapeutic or prophylactic agents. They are particularly well-suited for treatment of many inflammatory and autoimmune diseases.(FR) L'invention concerne de nouveaux composés utiles pour inhiber et prévenir l'adhérence cellulaire, ainsi que les pathologies provoquées par l'adhérence cellulaire. Elle concerne également des compositions pharmaceutiques contenant ces composés, ainsi que des procédés permettant de les utiliser pour inhiber et prévenir l'adhérence cellulaire et les pathologies provoquées par l'adhérence cellulaire. On peut utiliser ces composés et ces compositions pharmaceutiques en tant qu'agents thérapeutiques et prophylactiques. Ils sont particulièrement appropriés pour le traitement de nombreuses maladies inflammatoires et auto-immunes.

  本发明涉及新型化合物，可用于抑制和预防细胞黏附和细胞黏附介导的病理过程。本发明还涉及包含这些化合物的制药配方和使用它们抑制和预防细胞黏附和细胞黏附介导的病理过程的方法。本发明的化合物和制药组合物可用作治疗或预防剂。它们特别适用于治疗许多炎症和自身免疫性疾病。
• Cell adhesion inhibitors
  申请人：——

  公开号：US20030018016A1

  公开（公告）日：2003-01-23

  The present invention relates to novel compounds that are useful for inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention also relates to pharmaceutical formulations comprising these compounds and methods of using them for inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. The compounds and pharmaceutical compositions of this invention can be used as therapeutic or prophylactic agents. They are particularly well-suited for treatment of many inflammatory and autoimmune diseases.

  本发明涉及新型化合物，其对细胞粘附和细胞粘附介导的病理过程的抑制和预防具有用处。本发明还涉及包含这些化合物的制药配方和使用它们抑制和预防细胞粘附和细胞粘附介导的病理过程的方法。本发明的化合物和制药组合物可用作治疗或预防剂。它们特别适用于治疗许多炎症和自身免疫性疾病。