3-乙烯基苯甲酰胺 | 16260-62-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-乙烯基苯甲酰胺
• 英文名称: 3-vinylbenzamide
• 英文别名: m-Vinylbenzoesaeure amid；3-Ethenylbenzamide
• CAS: 16260-62-1
• 化学式: C₉H₉NO
• mdl: MFCD18824546
• 分子量: 147.177
• InChiKey: XCWZMZNDYXEKIX-UHFFFAOYSA-N

物化性质

• 沸点：
  281.7±19.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  5-(2-benzyloxy-4-iodophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one 、 3-乙烯基苯甲酰胺 在 palladium diacetate 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.42h， 生成 3-{2-[3-benzyloxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenyl]-vinyl}-benzamide
  参考文献：
  名称：

  WO2007/115058

  摘要：

  公开号：
• 作为产物：
  描述：

  3-乙烯基苯甲酰氯 在 氨 作用下， 生成 3-乙烯基苯甲酰胺
  参考文献：
  名称：

  WO2007/115058

  摘要：

  公开号：

文献信息

• Acetamides and benzamides that are useful in treating sexual dysfunction
  申请人：——

  公开号：US20040029887A1

  公开（公告）日：2004-02-12

  The present invention relates to the use of compounds of formula (I) 1 for the treatment of sexual dysfunction and to compositions containing compounds of formula (I) for the treatment of sexual dysfunction.

  本发明涉及使用式(I)的化合物治疗性功能障碍，以及含有式(I)化合物的组合物用于治疗性功能障碍。
• Anti-Cytokine Heterocyclic Compounds
  申请人：Goldberg Daniel

  公开号：US20060276496A1

  公开（公告）日：2006-12-07

  Heterocyclic compounds and analogues thereof and their use as inhibitors of Mitogen-Activated Protein Kinase-Activated Protein kinase-2 (MAPKAP-k2), and also to a method for preventing or treating a disease or disorder that can be treated or prevented by modulating the activity of MAPKAP-K2 in a subject and to pharmaceutical compositions and kits that include these MAPKAP-K2 inhibitors.

  杂环化合物及其类似物以及它们作为丝裂原活化蛋白激酶-2（MAPKAP-k2）抑制剂的用途，以及用于预防或治疗可以通过调节受试者中MAPKAP-K2活性来治疗或预防的疾病或紊乱的方法，以及包括这些MAPKAP-K2抑制剂的药物组合物和试剂盒。
• Organic compounds
  申请人：Novartis AG

  公开号：US08084448B2

  公开（公告）日：2011-12-27

  Compounds of the formula are inhibitors of protein tyrosine phosphatases (PTPases) and, thus, may be employed for the treatment of conditions mediated by PTPase activity. The compounds of the present invention may also be employed as inhibitors of other enzymes characterized with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula (I) may be employed for prevention and/or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels, conditions that accompany type-2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat and/or prevent cancer, osteoporosis, musculoskeletal, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  公式为的化合物是蛋白酪氨酸磷酸酶（PTPase）的抑制剂，因此可用于治疗PTPase活性介导的疾病。本发明的化合物也可用作其他酶的抑制剂，这些酶具有磷酸酪氨酸结合区域，如SH2结构域。因此，公式（I）的化合物可用于预防和/或治疗与肥胖、葡萄糖耐受性、糖尿病、高血压和大、小血管缺血性疾病相关的胰岛素抵抗，以及伴随2型糖尿病的情况，包括高脂血症、高三酰甘油血症、动脉粥样硬化、血管再狭窄、肠易激综合征、胰腺炎、脂肪细胞肿瘤和脂肪肉瘤、脂质代谢异常和其他表现为胰岛素抵抗的疾病。此外，本发明的化合物可用于治疗和/或预防癌症、骨质疏松症、肌肉骨骼、神经退行性和传染性疾病，以及涉及炎症和免疫系统的疾病。
• ORGANIC COMPOUNDS
  申请人：Neubert Alan

  公开号：US20090181928A1

  公开（公告）日：2009-07-16

  Compounds of the formula are inhibitors of protein tyrosine phosphatases (PTPases) and, thus, may be employed for the treatment of conditions mediated by PTPase activity. The compounds of the present invention may also be employed as inhibitors of other enzymes characterized with a phosphotyrosine binding region such as the SH2 domain. Accordingly, the compounds of formula (I) may be employed for prevention and/or treatment of insulin resistance associated with obesity, glucose intolerance, diabetes mellitus, hypertension and ischemic diseases of the large and small blood vessels, conditions that accompany type-2 diabetes, including hyperlipidemia, hypertriglyceridemia, atherosclerosis, vascular restenosis, irritable bowel syndrome, pancreatitis, adipose cell tumors and carcinomas such as liposarcoma, dyslipidemia, and other disorders where insulin resistance is indicated. In addition, the compounds of the present invention may be employed to treat and/or prevent cancer, osteoporosis, musculoskeletal, neurodegenerative and infectious diseases, and diseases involving inflammation and the immune system.

  公式的化合物是蛋白酪氨酸磷酸酶（PTPases）的抑制剂，因此可用于治疗由PTPase活性介导的疾病。本发明的化合物也可用作其他酶的抑制剂，这些酶具有磷酸酪氨酸结合区域，如SH2结构域。因此，公式（I）的化合物可用于预防和/或治疗与肥胖、葡萄糖不耐受、糖尿病、高血压以及大、小血管缺血性疾病有关的胰岛素抵抗。这些疾病包括高脂血症、高三酰甘油血症、动脉粥样硬化、血管再狭窄、肠易激综合征、胰腺炎、脂肪细胞肿瘤和脂肪肉瘤等癌症，以及其他显示胰岛素抵抗的疾病。此外，本发明的化合物可用于治疗和/或预防癌症、骨质疏松症、肌肉骨骼、神经退行性和传染性疾病，以及涉及炎症和免疫系统的疾病。
• Discovery of 3-Methyl-<i>N</i>-(1-oxy-3‘,4‘,5‘,6‘-tetrahydro-2‘<i>H</i>-[2,4‘-bipyridine]-1‘-ylmethyl)benzamide (ABT-670), an Orally Bioavailable Dopamine D₄ Agonist for the Treatment of Erectile Dysfunction
  作者：Meena V. Patel、Teodozyj Kolasa、Kathleen Mortell、Mark A. Matulenko、Ahmed A. Hakeem、Jeffrey J. Rohde、Sherry L. Nelson、Marlon D. Cowart、Masaki Nakane、Loan N. Miller、Marie E. Uchic、Marc A. Terranova、Odile F. El-Kouhen、Diana L. Donnelly-Roberts、Marian T. Namovic、Peter R. Hollingsworth、Renjie Chang、Brenda R. Martino、Jill M. Wetter、Kennan C. Marsh、Ruth Martin、John F. Darbyshire、Gary Gintant、Gin C. Hsieh、Robert B. Moreland、James P. Sullivan、Jorge D. Brioni、Andrew O. Stewart

  DOI：10.1021/jm060662k

  日期：2006.12.1

  The goal of this study was to identify a structurally distinct D-4-selective agonist with superior oral bioavailability to our first-generation clinical candidate 1a (ABT-724) for the potential treatment of erectile dysfunction. Arylpiperazines such as (heteroarylmethyl) piperazine 1a, benzamide 2, and acetamides such as 3a,b exhibit poor oral bioavailability. Structure-activity relationship (SAR) studies with the arylpiperidine template provided potent partial agonists such as 4d and 5k that demonstrated no improvement in oral bioavailability. Further optimization with the (N-oxy-2-pyridinyl) piperidine template led to the discovery of compound 6b (ABT-670), which exhibited excellent oral bioavailability in rat, dog, and monkey (68%, 85%, and 91%, respectively) with comparable efficacy, safety, and tolerability to 1a. The N-oxy-2-pyridinyl moiety not only provided the structural motif required for agonist function but also reduced metabolism rates. The SAR study leading to the discovery of 6b is described herein.