phenyl (3,4-dimethylphenyl)carbamate | 202599-15-3

• 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: phenyl (3,4-dimethylphenyl)carbamate
• 英文别名: Phenyl N-(3,4-xylyl)carbamate；phenyl N-(3,4-dimethylphenyl)carbamate
• CAS: 202599-15-3
• 化学式: C₁₅H₁₅NO₂
• mdl: MFCD00089690
• 分子量: 241.29
• InChiKey: HGZRMCSLASLWGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  phenyl (3,4-dimethylphenyl)carbamate 在 一水合肼 作用下， 反应 12.0h， 生成 [4-(3,4-dimethylphenyl)]semicarbazide
  参考文献：
  名称：

  Synthesis and biological activities of novel artemisinin derivatives as cysteine protease falcipain-2 inhibitors

  摘要：

  一系列新型青蒿素衍生物是从青蒿素和不同的苯胺合成而成的。所有化合物均以β-异构体的形式获得。靶化合物在体外评估了对恶性疟原虫falcipain-2的抑制活性，其中大多数表现出微摩尔范围内的强抑制效果，并证明是新的falcipain-2抑制剂类型。

  DOI：

  10.1007/s12272-012-0902-4
• 作为产物：
  描述：

  3,4-二甲基苯胺 、 氯甲酸苯酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 phenyl (3,4-dimethylphenyl)carbamate
  参考文献：
  名称：

  Synthesis and biological activities of novel artemisinin derivatives as cysteine protease falcipain-2 inhibitors

  摘要：

  一系列新型青蒿素衍生物是从青蒿素和不同的苯胺合成而成的。所有化合物均以β-异构体的形式获得。靶化合物在体外评估了对恶性疟原虫falcipain-2的抑制活性，其中大多数表现出微摩尔范围内的强抑制效果，并证明是新的falcipain-2抑制剂类型。

  DOI：

  10.1007/s12272-012-0902-4

文献信息

• HETEROCYCLIC COMPOUNDS
  申请人：SHIONOGI & CO., LTD.

  公开号：US20140249159A1

  公开（公告）日：2014-09-04

  The invention relates to compounds of Formula I: wherein Ar 1 , Ar 2 , Ar 3 , L 1 , L 2 , Y, Z and v are defined in the specification, and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of Formula I or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of Formula I or a pharmaceutically acceptable derivative thereof.

  本发明涉及式I的化合物：其中Ar1，Ar2，Ar3，L1，L2，Y，Z和v在说明书中有定义，以及其药学上可接受的衍生物，包括含有式I的化合物或其药学上可接受的衍生物的有效量的组合物，以及治疗或预防疼痛，尿失禁，溃疡，炎症性肠病和肠易激综合征等疾病的方法，包括向需要治疗的动物中给予式I的化合物或其药学上可接受的衍生物的有效量。
• [EN] TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS<br/>[FR] TRAITEMENT DE CANCERS ENTRAÎNÉS PAR MYC AVEC DES AGENTS DE DÉGRADATION GSPT1
  申请人：MONTE ROSA THERAPEUTICS AG

  公开号：WO2022152822A1

  公开（公告）日：2022-07-21

  The present disclosure relates to new methods to predict the responsiveness of cancer patients to GSPT1 negative modulators and thus determine the of efficacy GSPT1 negative modulators to treat cancer patients by determining the level of one or more biomarkers in samples of the patients. The present disclosure also relates to applications of these methods, which includes stratifying cancer malignancies, in particular identifying myc-driven cancers, and thereby devising optimized and personalized treatments for these cancer patients, as well as optimizing the selection of patient populations for respective clinical trials.

  本公开涉及新的方法来预测癌症患者对GSPT1负调节剂的反应性，从而通过确定患者样本中一个或多个生物标志物的水平来确定GSPT1负调节剂治疗癌症患者的有效性。本公开还涉及这些方法的应用，包括分层癌症恶性程度，特别是识别驱动肿瘤的myc，从而为这些癌症患者设计优化和个性化的治疗方案，以及优化选择患者人群进行相应的临床试验。
• [EN] ISOINDOLINONE COMPOUNDS<br/>[FR] COMPOSÉS D'ISOINDOLINONE
  申请人：MONTE ROSA THERAPEUTICS AG

  公开号：WO2022152821A1

  公开（公告）日：2022-07-21

  Disclosed herein are compound or pharmaceutically acceptable salts or stereoisomers thereof of formula (I). These compounds find use as modulators of cereblon, in particular in the treatment of abnormal cell growth in mammals, especially humans.

  本文揭示了公式(I)的化合物或药学上可接受的盐或其立体异构体。这些化合物可用作 cereblon 调节剂，特别是用于治疗哺乳动物，尤其是人类的异常细胞生长。
• Design and synthesis of novel triazole antifungal derivatives by structure-based bioisosterism
  作者：Chunquan Sheng、Xiaoying Che、Wenya Wang、Shengzheng Wang、Yongbing Cao、Zhenyuan Miao、Jianzhong Yao、Wannian Zhang

  DOI：10.1016/j.ejmech.2011.03.019

  日期：2011.11

  The incidence of life-threatening fungal infections is increasing dramatically. In an attempt to develop novel antifungal agents, our previously synthesized phenoxyalkylpiperazine triazole derivatives were used as lead structures for further optimization. By means of structure-based bioisosterism, triazolone was used as a new bioisostere of oxygen atom. This type of bioisosteric replacement can improve the water solubility without loss of hydrogen-bonding interaction with the target enzyme. A series of triazolone-containing triazoles were rationally designed and synthesized. As compared with fluconazole, several compounds showed higher antifungal activity with broader spectrum, suggesting their potential for further evaluations. (C) 2011 Elsevier Masson SAS. All rights reserved.
• Synthesis of N-aryl and N-arylcarbamoylamino derivatives of 1,3-diazinane-5-carboxamide and their activity against glioblastoma LN-229 cell line
  作者：Rebecca J. Hron、Branko S. Jursic、Donna M. Neumann

  DOI：10.1016/j.bmc.2016.09.074

  日期：2016.12

  Six structural motifs based on the initial (lead) structure of merbarone were designed, prepared, and tested against the glioblastoma LN-229 cell line. Three different structural moieties were modified in the search for optimal glioblastoma activity: the 1,3-diazinane moiety, the aryl moiety, and the heteroatom linker. Calculated molecular descriptors such as lipophilicity (ClogP), acidic strength (calculated pK(a)), and polar surface area (PSA) were used to design a diverse structural library of these compounds. From six different structural motifs and 136 compounds, a handful of examples with moderate (100 mu g/ml), good (10 mu g/ml) and excellent (1 mu g/ml) glioblastoma activity were elucidated. (C) 2016 Published by Elsevier Ltd.