(4-nitrophenyl)N-[4-(trifluoromethyl)phenyl]carbamate | 23794-67-4

• 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-nitrophenyl)N-[4-(trifluoromethyl)phenyl]carbamate
• 英文别名: 4-nitrophenyl (4-(trifluoromethyl)phenyl)carbamate；N-(p-trifluoromethylphenyl)-O-(p-nitrophenyl)carbamate；(4-nitrophenyl) N-[4-(trifluoromethyl)phenyl]carbamate
• CAS: 23794-67-4
• 化学式: C₁₄H₉F₃N₂O₄
• 分子量: 326.232
• InChiKey: RAXUWKANYOOWOF-UHFFFAOYSA-N

物化性质

• 沸点：
  401.8±45.0 °C(Predicted)
• 密度：
  1.484±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-(2-Aminoethyl)-n-methyl-3-isoquinolinecarboxamide 、 (4-nitrophenyl)N-[4-(trifluoromethyl)phenyl]carbamate 在 N,N-二异丙基乙胺 作用下， 生成 7-{2-[3-(4-trifluoromethyl-phenyl)-ureido]-ethyl}-isoquinoline-3-carboxylic acid methylamide
  参考文献：
  名称：

  Design and synthesis of isoquinolines and benzimidazoles as RAF kinase inhibitors

  摘要：

  RAF kinase plays a critical role in the RAF-MEK-ERK signaling pathway and inhibitors of RAF could be of use for the treatment of various cancer types. We have designed potent RAF-1 inhibitors bearing novel bicyclic heterocycles as key structural elements for the interaction with the hinge region. In both series exploration of the SAR was focussed on the substitution of the phenyl ring, which binds to the induced fit pocket. Overall, it was confirmed that incorporation of lipophilic substituents was needed for potent Raf inhibition and a number of potent analogues were obtained. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.108
• 作为产物：
  描述：

  2-氨基-5-三氟甲基吡啶 、 对硝基苯基氯甲酸酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 (4-nitrophenyl)N-[4-(trifluoromethyl)phenyl]carbamate
  参考文献：
  名称：

  ALXR AGONIST COMPOUND

  摘要：

  本发明提供了一种具有ALXR激动剂活性的化合物。具体来说，该发明提供了一种具有ALXR激动剂活性的化合物，其由通式（I）表示，其中所有符号如规范中定义，其盐、溶剂合物或前药，以及含有该化合物作为活性成分的药剂，用于预防和/或治疗与ALXR相关的疾病，如炎症性肠病、自身免疫疾病、慢性炎症性疾病、哮喘、肺纤维化、特应性皮炎、缺血再灌注损伤、心肌梗死或阿尔茨海默病。

  公开号：

  US20160145249A1

文献信息

• Discovery of BPR1R024, an Orally Active and Selective CSF1R Inhibitor that Exhibits Antitumor and Immunomodulatory Activity in a Murine Colon Tumor Model
  作者：Kun-Hung Lee、Wan-Ching Yen、Wen-Hsing Lin、Pei-Chen Wang、You-Liang Lai、Yu-Chieh Su、Chun-Yu Chang、Cai-Syuan Wu、Yu-Chen Huang、Chen-Ming Yang、Ling-Hui Chou、Teng-Kuang Yeh、Chiung-Tong Chen、Chuan Shih、Hsing-Pang Hsieh

  DOI：10.1021/acs.jmedchem.1c01006

  日期：2021.10.14

  diminish the AURA/B activities. A lead compound BPR1R024 (12) exhibited potent CSF1R activity (IC50 = 0.53 nM) and specifically inhibited protumor M2-like macrophage survival with a minimal effect on antitumor M1-like macrophage growth. In vivo, oral administration of 12 mesylate delayed the MC38 murine colon tumor growth and reversed the immunosuppressive tumor microenvironment with the increased M1/M2

  集落刺激因子 1 受体 (CSF1R) 与肿瘤相关巨噬细胞 (TAM) 复极化有关，并已成为癌症免疫治疗的一个有前景的靶点。在此，我们描述了通过对我们的临床多靶点激酶抑制剂 BPR1K871 ( 9 ) 进行特性驱动优化来发现口服活性和选择性 CSF1R 抑制剂。分子对接揭示了独特的 7-氨基喹唑啉支架和 CSF1R 铰链区之间额外的非经典氢键 (NCHB) 相互作用，有助于 CSF1R 效力的增强。 CSF1R 和极光激酶 B (AURB) 的结构研究证明了它们后袋的差异，这启发了使用链延伸策略来减少 AURA/B 活性。先导化合物 BPR1R024 ( 12 ) 表现出强大的 CSF1R 活性 (IC 50 = 0.53 nM)，并特异性抑制促肿瘤 M2 样巨噬细胞的存活，而对抗肿瘤 M1 样巨噬细胞生长的影响最小。在体内，口服12甲磺酸盐可延缓MC38小鼠结肠肿瘤的生长，并通过增加M
• Preparation of benzoylureas
  申请人：Eli Lilly and Company

  公开号：US04133956A1

  公开（公告）日：1979-01-09

  Benzoylureas are prepared from a benzamide, an alkyllithium, a phenyl chloroformate, and an amine. Two reaction sequences are described. The benzoylureas obtained by the process are useful as insecticides.

  苯甲酰脲是由苯甲酰胺、烷基锂、苯基氯甲酸酯和胺制备而成。描述了两个反应序列。通过该过程获得的苯甲酰脲可用作杀虫剂。
• TRPV1 antagonists and uses thereof
  申请人：Purdue Pharma L.P.

  公开号：EP2604598A1

  公开（公告）日：2013-06-19

  The invention relates to compounds of formula I 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 及其药学上可接受的衍生物，包含有效量的式 I 化合物或其药学上可接受的衍生物的组合物，以及治疗或预防疼痛、UI、溃疡、IBD 和肠易激综合征等病症的方法，包括向有需要的动物施用有效量的式 I 化合物或其药学上可接受的衍生物。
• DE1802739
  申请人：——

  公开号：——

  公开（公告）日：——
• TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF
  申请人：Tafesse Laykea

  公开号：US20090170868A1

  公开（公告）日：2009-07-02

  The invention relates to compounds of formula IA and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula IA 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 IA or a pharmaceutically acceptable derivative thereof.