1,3-二甲基-2-氧代-2,3-二氢-1H-苯并咪唑-5-甲醛 | 55241-49-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1,3-二甲基-2-氧代-2,3-二氢-1H-苯并咪唑-5-甲醛
• 中文别名: 2-氧代-1,3-二甲基-苯并咪唑-5-甲醛；1,3-二甲基-2-氧代-5-苯并咪唑甲醛；苯并咪唑-2(3H)-酮,5-甲酰-1,3-二甲基-；1,3-二甲基-2-氧代-苯并咪唑-5-甲醛
• 英文名称: 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbaldehyde
• 英文别名: 1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde；1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde
• CAS: 55241-49-1
• 化学式: C₁₀H₁₀N₂O₂
• mdl: MFCD00772536
• 分子量: 190.202
• InChiKey: PFRNWHRHGONGPG-UHFFFAOYSA-N

物化性质

• 沸点：
  325.5±21.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090
• 危险性防范说明：
  P270,P280,P305+P351+P338,P264,P301+P312+P330,P501,P337+P313
• 危险性描述：
  H302,H319
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  1,3-二甲基-2-氧代-2,3-二氢-1H-苯并咪唑-5-甲醛 生成 N-(2-((4-(2-(((1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)(pyridin-3-ylmethyl)amino)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide
  参考文献：
  名称：

  ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME

  摘要：

  本公开涉及到Formula (I)的化合物，以及它们的前药、药用可接受盐、药物组合物、使用方法和制备方法。本文披露的化合物对于治疗P-糖蛋白和/或细胞色素P450（例如CYP3A4）表达被调节的疾病（例如已发展出多药耐药性的癌症）是有用的。

  公开号：

  US20220106301A1
• 作为产物：
  描述：

  methyl 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylate 在 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 N-氯代丁二酰亚胺 、 锂硼氢 、 四丁基氯化铵 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 23.5h， 生成 1,3-二甲基-2-氧代-2,3-二氢-1H-苯并咪唑-5-甲醛
  参考文献：
  名称：

  Benzimidazolone p38 inhibitors

  摘要：

  The synthesis and in vitro p38alpha activity of a novel series of benzimidazolone inhibitors is described. The p38alpha SAR is consistent with a mode of binding wherein the benzimidazolone carbonyl serves as the H-bond acceptor to Met109 of p38alpha in a manner analogous to the pyridine nitrogen of prototypical pyridylimidazole p38 inhibitors. Potent p38alpha activity comparable to that of several previously reported p38 inhibitors is observed for this novel chemotype. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.023

文献信息

• [EN] VIRAL REPLICATION INHIBITORS<br/>[FR] INHIBITEURS DE REPLICATION VIRALE
  申请人：UNIV LEUVEN KATH

  公开号：WO2013045516A1

  公开（公告）日：2013-04-04

  The present invention relates to a series of novel compounds, methods to prevent or treat viral infections in animals by using the novel compounds and to said novel compounds for use as a medicine, more preferably for use as a medicine to treat or prevent viral infections, particularly infections with RNA viruses, more particularly infections with viruses belonging to the family of the Flaviviridae, and yet more particularly infections with the Dengue virus. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the novel compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of viral infections. The invention also relates to processes for preparation of the compounds.

  本发明涉及一系列新化合物，通过使用这些新化合物来预防或治疗动物的病毒感染的方法，以及将这些新化合物用作药物，更好地用于治疗或预防病毒感染，特别是感染RNA病毒，更特别是感染属于黄病毒科的病毒，更特别是感染登革病毒。本发明还涉及这些新化合物的药物组合或混合制剂，用作药物的组合或制剂，更好地用于预防或治疗病毒感染。该发明还涉及这些化合物的制备方法。
• Novel benzimidazole anti-inflammatory compounds
  申请人：Pfizer Inc.

  公开号：US20030092749A1

  公开（公告）日：2003-05-15

  The present invention relates to novel triazolo-pyridines of the formula I 1 wherein Het is an optionally substituted 5 -membered heterocycle containing one to two heteroatoms selected from nitrogen, sulfur and oxygen wherein at least one of said heteroatoms atoms must be nitrogen; R 2 is selected from the group consisting of hydrogen, (C 1 -C 6 )alkyl or other suitable substituents; R 3 is selected from the group consisting of hydrogen, (C 1 -C6)alkyl or other suitable substituents; s is an integer from 0-5; to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the present invention are potent inhibitors of MAP kinases, preferably p38 kinase. They are useful in the treatment of inflammation, osteoarthritis, rheumatoid arthritis, cancer, repurfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明涉及公式I的新型三唑基吡啶 其中Het是一个可选择取代的 含有一个到两个氮、硫和氧杂原子的5元杂环，其中至少一个杂原子必须是氮; R 2 选自由氢、(C 1 -C 6 )烷基或其他适当的取代基组成的群; R 3 选自由氢、(C 1 -C6)烷基或其他适当的取代基组成的群; s是0-5之间的整数; 用于它们的制备的中间体，含有它们的药物组合物以及它们的药用。本发明的化合物是MAP激酶，优选为p38激酶的有效抑制剂。它们在治疗炎症、骨关节炎、类风湿性关节炎、癌症、中风或心脏病发中的再灌注或缺血、自身免疫疾病和其他疾病中有用。
• [EN] BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS BICYCLIQUES PONTÉS POUR LE TRAITEMENT DES INFECTIONS BACTÉRIENNES
  申请人：KYORIN SEIYAKU KK

  公开号：WO2013003383A1

  公开（公告）日：2013-01-03

  Novel bridged bicyclic compounds are disclosed herein, along with their pharmaceutically acceptable salts, hydrates and prodrugs. Also disclosed are compositions comprising such compounds, methods of preparing such compounds and methods of using such compounds as antibacterial agents. The disclosed compounds, their pharmaceutically acceptable salts, hydrates and prodrugs, as well as compositions comprising such compounds, salts, hydrates and prodrugs, are useful for treating bacterial infections and associated diseases and conditions.

  本文披露了新型桥环双环化合物，以及它们的药用盐、水合物和前药。还披露了包含这些化合物的组合物，制备这些化合物的方法以及将这些化合物用作抗菌剂的方法。所披露的化合物、其药用盐、水合物和前药，以及包含这些化合物、盐、水合物和前药的组合物，可用于治疗细菌感染及相关疾病和症状。
• C-Formylation of Some 2(3H)-Benzazolones and 2H-1,4-Benzoxazin-3(4H)-one
  作者：Ognyan I. Petrov、Veneta B. Kalcheva、Antonina Ts. Antonova

  DOI：10.1135/cccc19970494

  日期：——

  The C-formylation of 1,3-dimethyl-2(3H)-benzimidazolone and 4-methyl-2H-1,4-benzoxazin-3(4H)-one was performed using 1,1-dichloromethyl methyl ether at the Friedel-Crafts reaction conditions. The formylation of 3-methyl-2(3H)-benzoxa- and -thiazolone at the 6-position was carried out by modified Duff's method with hexamethylenetetramine in trifluoroacetic acid.

  对1,3-二甲基-2(3H)-苯并咪唑酮和4-甲基-2H-1,4-苯并噁嗪-3(4H)-酮进行C-甲酰化反应，使用1,1-二氯甲基甲醚在Friedel-Crafts反应条件下进行。对3-甲基-2(3H)-苯并噁唑酮和噻唑酮在6位进行甲酰化反应，采用改良的Duff方法，使用六亚甲基四胺在三氟乙酸中进行。
• [EN] INHIBITORS OF APOL1 AND METHODS OF USING SAME<br/>[FR] INHIBITEURS D'APOL1 ET LEURS MÉTHODES D'UTILISATION
  申请人：VERTEX PHARMA

  公开号：WO2022047031A1

  公开（公告）日：2022-03-03

  The disclosure provides at least one entity chosen from compounds of Formula I, a tautomer thereof, a deuterated derivative of that compound or tautomer, and a pharmaceutically acceptable salt of any of the foregoing, compositions comprising the same, and methods of using the same, including uses in treating APOL1-mediated diseases, including pancreatic cancer, focal segmental glomerulosclerosis (FSGS), and/or non-diabetic kidney disease (NDKD).

  该披露提供了至少选择自化合物I的实体，其互变异构体，该化合物或互变异构体的氘代衍生物，以及前述任何一种的药用盐，包括包含相同实体的组合物，以及使用相同实体的方法，包括用于治疗APOL1介导的疾病，包括胰腺癌、局灶性节段性肾小球硬化（FSGS）和/或非糖尿病肾病（NDKD）的用途。