3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid | 717142-75-1

• 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: 3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid
• 英文别名: 3-(3-fluoro-3'-methoxy-biphenyl-4-ylcarbamoyl)-thiophene-2-carboxylic acid；3-(3-fluoro-3'-methoxybiphenyl-4-ylcarbamoyl)thiophene-2-carboxylic acid；DB07976；3-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
• CAS: 717142-75-1
• 化学式: C₁₉H₁₄FNO₄S
• 分子量: 371.389
• InChiKey: GIUMGVUBDBDTDX-UHFFFAOYSA-N

物化性质

• 沸点：
  486.8±45.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid 、 二氧化碳 在 正丁基锂 作用下， 生成 3-{[2-Fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2,5-dicarboxylic acid 、 3-{[2-Fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2,4-dicarboxylic acid
  参考文献：
  名称：

  Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors

  摘要：

  A previously discovered DHODH inhibitor series was further improved by replacing the cyclopentene ring by aromatic heterocycles. Different isomers of these compounds were prepared by the directed ortho-metallation procedure. The compounds are more active than the corresponding cyclopentene analogs and show potent effects on PBMC's proliferation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.011
• 作为产物：
  描述：

  3-噻吩甲酰氯 在 正丁基锂 作用下， 生成 3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid
  参考文献：
  名称：

  Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors

  摘要：

  A previously discovered DHODH inhibitor series was further improved by replacing the cyclopentene ring by aromatic heterocycles. Different isomers of these compounds were prepared by the directed ortho-metallation procedure. The compounds are more active than the corresponding cyclopentene analogs and show potent effects on PBMC's proliferation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.011

文献信息

• Methods for treatment of melanoma
  申请人：CHILDREN'S MEDICAL CENTER CORPORATION

  公开号：US10016402B2

  公开（公告）日：2018-07-10

  Embodiments of the present invention are directed to methods for treatment of melanoma using an inhibitor of dihydroorotate dehydrogenase (DHODH) and to combination therapies that involve administering to a subject an inhibitor of oncogenic BRAF (e.g. BRAF(V600E)), as well as an inhibitor of dihydroorotate dehydrogenase (DHODH). Assays for identifying compounds useful for the treatment of melanoma are also provided. The methods comprise screening for compounds or agents that inhibit neural crest progenitor formation in a zebra fish model of melanoma.

  本发明的实施方案涉及使用二氢烟酸脱氢酶(DHODH)抑制剂治疗黑色素瘤的方法，以及涉及向受试者施用致癌BRAF(例如BRAF(V600E))抑制剂以及二氢烟酸脱氢酶(DHODH)抑制剂的联合疗法。还提供了用于鉴定治疗黑色素瘤的化合物的检测方法。这些方法包括在黑色素瘤斑马鱼模型中筛选抑制神经嵴祖细胞形成的化合物或制剂。
• Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents
  申请人：4SC AG

  公开号：US20040192758A1

  公开（公告）日：2004-09-30

  The present invention relates to compounds of the general formula (II) and salts and physiologically functional derivatives thereof, 1 for the use as a medicament.

  本发明涉及通式（II）化合物及其盐类和生理功能衍生物、 1 用作药物。
• DIHYDROOROTATE-DEHYDROGENASEE INHIBITORS AS VIROSTATIC COMPOUNDS
  申请人：Panoptes Pharma Ges.m.b.H.

  公开号：EP2427186B1

  公开（公告）日：2022-01-12
• AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS
  申请人：4SC AG

  公开号：EP1578741B1

  公开（公告）日：2011-07-13
• DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION
  申请人：4SC AG

  公开号：EP1581478A1

  公开（公告）日：2005-10-05