5-甲酰基-2-噻吩甲酰胺 | 59786-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 5-甲酰基-2-噻吩甲酰胺
• 英文名称: 5-formyl-thiophene-2-carboxylic acid amide
• 英文别名: 2-aminocarbonylthiophen-5-carboxaldehyde；5-formyl-2-thiophenecarboxamide；Formyl-2-carboxamido-3-thiophen；5-Formylthiophene-2-carboxamide
• CAS: 59786-37-7
• 化学式: C₆H₅NO₂S
• mdl: MFCD12755846
• 分子量: 155.177
• InChiKey: JWXPJTJEKZFENM-UHFFFAOYSA-N

物化性质

• 熔点：
  190 °C
• 沸点：
  352.2±27.0 °C(Predicted)
• 密度：
  1.419±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 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：
  88.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-甲酰基-2-噻吩甲酰胺 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Hit-to-Lead Studies for the Antimalarial Tetrahydroisoquinolone Carboxanilides

  摘要：

  Phenotypic whole-cell screening in erythrocytic cocultures of Plasmodium falciparum identified a series of dihydroisoquinolones that possessed potent antimalarial activity against multiple resistant strains of P. falciparum in vitro and show no cytotoxicity to mammalian cells. Systematic structure activity studies revealed relationships between potency and modifications at N-2, C-3, and C-4. Careful structure property relationship studies, coupled with studies of metabolism, addressed the poor aqueous solubility and metabolic vulnerability, as well as potential toxicological effects, inherent in the more potent primary screening hits such as 10b. Analogues 13h and 13i, with structural modifications at each site, were shown to possess excellent antimalarial activity in vivo. The (+)-(35,4S) enantiomer of 13i and similar analogues were identified as the more potent. On the basis of these studies, we have selected (+)-13i for further study as a preclinical candidate.

  DOI：

  10.1021/acs.jmedchem.6b00752
• 作为产物：
  描述：

  2-氰基噻吩 、 正丁基锂 、 N,N-二甲基甲酰胺 生成 5-甲酰基-2-噻吩甲酰胺
  参考文献：
  名称：

  DUBUS P.; DECROIX B.; MOREL J.; PASTOUR P., BULL. SOC. CHIM. FRANCE , 1976, NO 3-4, PART. 2, 628-634

  摘要：

  DOI：

文献信息

• Phosphorylamides, their preparation and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05840917A1

  公开（公告）日：1998-11-24

  A phosphorylamide derivative represented by the general formula (I): ##STR1## wherein R represents an amino group that may be substituted, or a salt thereof, possesses potent antibacterial activity against Helicobacter bacterium, especially Helicobacter pylori, and is useful for prevention or treatment of digestive diseases caused by Helicobacter bacterium, solely or in combination with an antacid or an acid secretion inhibitor.

  一种由通式（I）表示的磷酰胺衍生物：##STR1## 其中R代表可能被取代的氨基团或其盐，对幽门螺杆菌，特别是幽门螺杆菌，具有强效的抗菌活性，并可用于单独或与抗酸剂或酸分泌抑制剂联合预防或治疗由幽门螺杆菌引起的消化系统疾病。
• 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20170044187A1

  公开（公告）日：2017-02-16

  Provided are 1-(3-aminopropyl) substituted cyclic amine compounds as represented by formula (I), pharmaceutically acceptable salts, enantiomers, diastereoisomers, racemates and mixtures thereof, and a method of synthesizing said 1-(3-aminopropyl) substituted cyclic amine compounds by using aromatic heterocyclic formaldehyde as raw material. Said compounds can be used as CCR 5 antagonist for the treatment of HIV infection.

  提供了以公式(I)表示的1-(3-氨基丙基)取代的环胺化合物，包括药用可接受的盐、对映体、非对映异构体、混合物和拉克酸盐，以及使用芳香杂环甲醛作为原料合成所述的1-(3-氨基丙基)取代的环胺化合物的方法。这些化合物可用作CCR 5受体拮抗剂，用于治疗HIV感染。
• Thienyl compounds for inhibition of cell proliferative disorders
  申请人：Sugen, Inc.

  公开号：US05710173A1

  公开（公告）日：1998-01-20

  The present invention relates to molecules capable of modulating tyrosine signal transduction to prevent and treat cell proliferative disorders or cell differentiation disorders associated with particular tyrosine kinases by inhibiting one or more abnormal tyrosine kinase activities.

  本发明涉及分子，能够调节酪氨酸信号转导，以防止和治疗与特定酪氨酸激酶相关的细胞增殖障碍或细胞分化障碍，通过抑制一个或多个异常酪氨酸激酶活性。
• AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP1845090A1

  公开（公告）日：2007-10-17

  The present invention provides compounds usuful for prevention, treatment or allevation of diseases against which activation of the thrombopoietin receptor is effective. A compound represented by the formula (1): wherein A, B, R1, L1, R2, L2, L3, Y, L4, R3 and X are the same as defined in the description, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  本发明提供的化合物可用于预防、治疗或减轻对血小板生成素受体激活有效的疾病。 由式（1）代表的化合物： 其中A、B、R1、L1、R2、L2、L3、Y、L4、R3和X与说明书中定义的相同，该化合物的同系物、原药或药学上可接受的盐或其溶液。
• [EN] 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSÉS D'AMINE CYCLIQUE SUBSTITUÉS EN 1-(3-AMINOPROPYL), PROCÉDÉ DE PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES DE CES DERNIERS ET LEURS UTILISATIONS<br/>[ZH] 一种1-(3-氨基丙基)取代环状胺类化合物、其制备方法、药物组合物及用途
  申请人：SHANGHAI INST MATERIA MEDICA

  公开号：WO2015101265A1

  公开（公告）日：2015-07-09

  提供了通式（I）所示1-(3-氨基丙基)取代环状胺类化合物及其药学上可接受的盐、对映异构体、非对映异构体、外消旋体和它们的混合物，以及以芳杂环甲醛为原料合成所述1-(3-氨基丙基)取代环状胺类化合物的方法。所述化合物可以用作CCR5拮抗剂，用于治疗HIV感染。