N-(1H-苯并[d]咪唑-2-基甲基)-乙酰胺 | 30770-21-9

• 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: N-(1H-苯并[d]咪唑-2-基甲基)-乙酰胺
• 英文名称: N-[(1H-benzo[d]imidazol-2-yl)methyl]acetamide
• 英文别名: N-((1H-benzimidazole-2-yl)methyl)acetamide；N-(1H-benzoimidazol-2-ylmethyl)acetamide；N-(1H-benzoimidazol-2-ylmethyl)-acetamide；N-(1H-benzimidazol-2-ylmethyl)-acetamide；N-(1H-Benzimidazol-2-ylmethyl)-acetamid；N-(1H-benzimidazol-2-ylmethyl)acetamide
• CAS: 30770-21-9
• 化学式: C₁₀H₁₁N₃O
• mdl: MFCD00462588
• 分子量: 189.217
• InChiKey: DESDFJIWDHLISD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  N-(1H-苯并[d]咪唑-2-基甲基)-乙酰胺 在 sodium tetrahydroborate 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以28%的产率得到N-(1H-benzoimidazol-2-ylmethyl)-N-ethylamine dihydrochloride
  参考文献：
  名称：

  Benzimidazole, Benzoxazole and Benzothiazole Derivatives as 5HT2B Receptor Ligands. Synthesis and Preliminary Pharmacological Evaluation

  摘要：

  2-Phenethylbenzimidazole, 2-phenethylbenzoxazole and 2phenethylbenzothiazole derivatives were synthesized to explore the structural features of the serotonin 5-HT2B receptor antagonists. Those molecules were designed to recognize the 5-HT2B receptor and to discriminate it from the 5-HT2A and 5-HT2C subtypes. All compounds were characterized by binding affinity determination for 5-HT2A and 5-HT2C subtypes and antagonistic activity for 5-HT2B receptor in rat stomach fundus. None of the new compounds showed affinity for 5-HT2A and 5-HT2C subtypes, but some of them displayed antagonistic activity in rat stomach fundus at micromolar concentrations.

  DOI：

  10.1007/s00044-005-0125-z
• 作为产物：
  描述：

  N-(1H-苯并咪唑-2-甲基)-苯甲酰胺 在 盐酸 、 水 作用下， 生成 N-(1H-苯并[d]咪唑-2-基甲基)-乙酰胺
  参考文献：
  名称：

  Hughes; Lions, Journal and Proceedings - Royal Society of New South Wales, 1937, vol. 71, p. 209,221

  摘要：

  DOI：

文献信息

• [EN] PESTICIDAL COMPOUNDS<br/>[FR] COMPOSÉS PESTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016012333A1

  公开（公告）日：2016-01-28

  A method of combating and controlling insects, acarines, nematodes or molluscs which comprises applying to a pest, to a locus of a pest, or to a plant susceptible to attack by a pest an insecticidally, acaricidally, nematicidally or molluscicidally effective amount of a compound of formula (I), wherein R1 is R4, YR5 or ZR6; Y is CO or C=S; Z is S, S(O), SO2 or PO2; and A is an optionally substituted phenyl or an optionally substituted heteroaromatic ring, wherein R1 to R6 are defined organic groups; new compounds are also provided.

  一种用于对抗和控制昆虫、螨虫、线虫或软体动物的方法，包括向害虫、害虫栖息地或易受害虫攻击的植物施加化学式(I)中的一种化合物的杀虫、杀螨、杀线虫或杀软体动物有效量，其中R1为R4、YR5或ZR6；Y为CO或C=S；Z为S、S(O)、SO2或PO2；A为一个可选择取代的苯基或可选择取代的杂环，其中R1至R6为定义的有机基团；还提供了新的化合物。
• 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER
  申请人：Lead Discovery Center GmbH

  公开号：EP3613738A1

  公开（公告）日：2020-02-26

  The present invention relates to certain 4-substituted 1H-pyrrolo[2,3-b]pyridine compounds of the formula (I) and pharmaceutically acceptable salts thereof. These compounds is useful in the treatment or prevention of a disease or medical condition mediated through certain mutated forms of ErbB receptor, especially of Exon20 Her2 and EGFR mutations.

  本发明涉及某些4-取代的1H-吡咯并[2,3-b]吡啶化合物（I）及其药学上可接受的盐。这些化合物在治疗或预防通过某些突变形式的ErbB受体介导的疾病或医疗状况方面具有用途，特别是Exon20 Her2和EGFR突变。
• Potassium Channel Inhibitors
  申请人：Trotter B. Wesley

  公开号：US20090124665A1

  公开（公告）日：2009-05-14

  The present invention relates to compounds having the structure (I) useful as potassium channel inhibitors to treat cardiac arrhythmias, and the like.

  本发明涉及具有结构式（I）的化合物，其可用作钾通道抑制剂用于治疗心律失常等疾病。
• Heterocyclic inhibitors of ERK2 and uses thereof
  申请人：Cao Jingrong

  公开号：US20070265263A1

  公开（公告）日：2007-11-15

  Described herein are compounds that are useful as protein kinase inhibitors having the formula: wherein Z 1 and Z 2 are each independently nitrogen or CH and Ring A, T m R 1 , QR 2 , U n R 3 , and Sp are as described in the specification. The compounds are especially useful as inhibitors of ERK2 and for treating diseases in mammals that are alleviated by a protein kinase inhibitor, particularly diseases such as cancer, inflammatory disorders, restenosis, diabetes, and cardiovascular disease.

  本文介绍了一些具有下列式的蛋白激酶抑制剂的化合物： 其中Z1和Z2各自独立地为氮或CH，环A、TmR1、QR2、UnR3和Sp如说明书所述。这些化合物特别适用于抑制ERK2并治疗哺乳动物中由蛋白激酶抑制剂缓解的疾病，特别是癌症、炎症性疾病、再狭窄、糖尿病和心血管疾病等疾病。
• COMPOUNDS USEFUL FOR INHIBITING CHK1
  申请人：Keegan Kathleen S.

  公开号：US20100105683A1

  公开（公告）日：2010-04-29

  Aryl- and heteroaryl-substituted urea compounds useful in the treatment of diseases and conditions related to DNA damage or lesions in DNA replication are disclosed. Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed.

  本发明公开了用于治疗与DNA损伤或DNA复制中的损伤有关的疾病和病症的芳基和杂环基取代脲化合物。本发明还公开了制备该化合物的方法以及它们作为治疗剂的用途，例如，在治疗癌症和其他以DNA复制缺陷、染色体分离或细胞分裂为特征的疾病中。