2-氰基-N-噻唑-2-乙酰胺 | 90158-62-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氰基-N-噻唑-2-乙酰胺
• 中文别名: 2-氰基-N-(1,3-噻唑-2-基)乙酰胺；2-氰基-N-噻唑-2-基-乙酰胺；2-氰基-N-(2-噻唑基)乙酰胺
• 英文名称: 2-cyano-N-(thiazol-2-yl)acetamide
• 英文别名: 2-Cyano-N-thiazol-2-yl-acetamide；2-cyano-N-(1,3-thiazol-2-yl)acetamide
• CAS: 90158-62-6
• 化学式: C₆H₅N₃OS
• mdl: MFCD00608535
• 分子量: 167.191
• InChiKey: ZSPNFPWMLPHDQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  94
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  2-氰基-N-噻唑-2-乙酰胺 在 哌啶 、 氢氧化钾 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 生成 (2E)-2-cyano-N-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
  参考文献：
  名称：

  N-hetaryl-2-cyanoacetamides in the synthesis of substituted (E)-N-hetaryl-2-cyanoacrylamides, (E)-N-alkyl-N-hetaryl-2-cyanoacrylamides, and 6-amino-2-oxo-4-phenyl-1-(pyridin-2-yl)-1,2-dihydropyridine-3,5-dicarbonitriles

  摘要：

  Knoevenagel condensation of N-hetaryl-substituted cyanoacetamides with aldehydes gave the corresponding (E)-N-hetaryl-2-cyanoacrylamides which were converted into (E)-N-alkyl-N-hetaryl-2-cyanoacrylamides and 6-amino-2-oxo-4-phenyl-1-(pyridin-2-yl)-1,2-dihydropyridine-3,5-dicarbonitriles. The structure of (E)-N-(pyridin-2-yl)-2-cyano-3-phenylprop-2-enamide was determined by X-ray analysis.

  DOI：

  10.1134/s1070428007010101
• 作为产物：
  描述：

  2-氨基噻唑 、 1-氰基乙酰-3,5-二甲基吡唑 生成 2-氰基-N-噻唑-2-乙酰胺
  参考文献：
  名称：

  咪唑并[1,2-b]吡唑-7-甲酰胺的合成、细胞毒性表征和合成孔径雷达研究

  摘要：

  研究了新型咪唑并[1,2-b]吡唑-7-甲酰胺的合成和体外细胞毒特性。在利用 MCF-7 人乳腺、4T1 乳腺和 HL-60 人早幼粒细胞白血病癌细胞系的 2D 和 3D 培养物进行先导优化后，构建了一个 67 元文库，并构建了构效关系（SAR ) 确定。七个合成的类似物表现出亚微摩尔活性，其中化合物 63 发挥最显着的效力，具有显着的 HL-60 敏感性（IC50 = 0.183 μM）。

  DOI：

  10.1002/ardp.201800062

文献信息

• [EN] FTO INHIBITORS<br/>[FR] INHIBITEURS DE FTO
  申请人：NAT INST OF BIOLOGICAL SCIENCES BEIJING

  公开号：WO2016206573A1

  公开（公告）日：2016-12-29

  The invention provides compounds that inhibit FTO (fat mass and obesity), including pharmaceutically acceptable salts, hydrides and stereoisomers thereof. The compounds are employed in pharmaceutical compositions, and methods of making and use, including treating a person in need thereof, particularly obesity, with an effective amount of the compound or composition, and detecting a resultant improvement in the person's health or condition.

  这项发明提供了抑制FTO（脂肪质量和肥胖）的化合物，包括药用可接受的盐、氢化物和立体异构体。这些化合物用于制备药物组合物，以及制备和使用的方法，包括使用有效量的化合物或组合物治疗有需要的人，特别是肥胖症，并检测人的健康或状况的改善。
• Knoevenagel Reactions of Indole-3-carbaldehyde. Synthesis of 3-Substituted Indole Derivatives
  作者：V. D. Dyachenko、I. O. Matusov、I. V. Dyachenko、V. G. Nenajdenko

  DOI：10.1134/s1070428018120060

  日期：2018.12

  1H-indole-3-carbaldehyde with various CH acids gave a number of substituted 3-(1H-indol-3-yl)acrylonitriles and acrylamides which were alkylated to afford the corresponding N-alkyl derivatives. The latter were used as Michael acceptors in the synthesis of 4H-pyran, pyridine, 5,6,7,8-tetrahydroquinoline, and [1,3]thiazolo[3,2-a]pyridine derivatives containing an indole fragment.

  1 H-吲哚-3-甲醛与各种CH酸的Knoevenagel缩合得到许多取代的3-（1H-吲哚-3-基）丙烯腈和丙烯酰胺，将它们烷基化以提供相应的N-烷基衍生物。后者在含有吲哚片段的4 H-吡喃，吡啶，5,6,7,8-四氢喹啉和[1,3]噻唑并[3,2- a ]吡啶衍生物的合成中用作迈克尔受体。
• [EN] 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ESTROGEN-RELATED RECEPTORS FOR THE TREATMENT OF E.G. CANCER, RHEUMATOID ARTHRITIS OR NEUROLOGICAL DISORDERS<br/>[FR] DERIVES DE 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE ET COMPOSES APPARENTES UTILES COMME MODULATEURS DES RECEPTEURS LIES A L'OESTROGENE DANS LE TRAITEMENT DU CANCER, DE L'ARTHRITE RHUMATOIDE OU DE TROUBLES NEUROLOGIQUES
  申请人：X CEPTOR THERAPEUTICS INC

  公开号：WO2005072731A1

  公开（公告）日：2005-08-11

  Compounds of formula (I) are provided as well as compositions and methods of using compounds of formula (I) for modulating the activity of the estrogen-related receptors and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder related to the activity of the estrogen-related receptor. Considering the wide range of activity of the nuclear hormone receptor ERRα, the compounds described herein which are capable of modulating ERRα activity, are useful for treating a range of disease states including cancer, diabetes, obesity, hyperlipidermia, arthritis, atherosclerosis, osteoporosis, anxiety, depression, Parkinson’s disease and Alzheimer’s disease. Formula (I). The substituents are defined in the claims.

  提供了化学式（I）的化合物，以及使用化学式（I）的化合物调节雌激素相关受体活性的组合物和方法，用于治疗、预防或改善与雌激素相关受体活性有关的一种或多种疾病或紊乱的症状。考虑到核激素受体ERRα的广泛活性范围，本文描述的能够调节ERRα活性的化合物，可用于治疗包括癌症、糖尿病、肥胖、高脂血症、关节炎、动脉粥样硬化、骨质疏松症、焦虑、抑郁症、帕金森病和阿尔茨海默病在内的一系列疾病状态。化学式（I）。取代基在权利要求中有定义。
• A convenient and facile synthesis of pyridine, pyridazine, pyrimido-[4,5-<i>c</i>]pyridazine, pyrido[3,4-<i>c</i>]pyridazine, 1,6-naphthyridine and phthalazine derivatives
  作者：Eman A. El Rady、Magda A. Barsy

  DOI：10.1002/jhet.5570430201

  日期：2006.3

  reacted with 2-cyano-N-(4-methylphenyl) acetamide 1a and 2-cyano-N-(thiazol-2-yl)acetamide 1b to give the pyridinedione, 4 and pyridazine 5 derivatives in 3:1 ratio. The products 4 and 5 have been transformed into different phthalazine, pyrimido[4,5-c]-pyridazine, pyrido[3,4-c]pyridazine and 1,6-naphthyridine derivatives. The chemical structures have been confirmed by analytical and spectral analysis.

  2-芳基肼基-3-丁酸乙酯2与2-氰基-N-（4-甲基苯基）乙酰胺1a和2-氰基-N-（噻唑-2-基）乙酰胺1b反应得到吡啶二酮4和哒嗪5衍生物以3：1的比例。产物4和5已被转化成不同的酞嗪，嘧啶[4，5- c ]-哒嗪，吡啶并[3，4- c ]哒嗪和1，6-萘啶衍生物。化学结构已通过分析和光谱分析得到证实。
• 3-Formylchromones in Guareschi Synthesis of 5-(2-hydroxybenzoyl)-2-pyridones
  作者：Dmitriy M. Volochnyuk、Sergey V. Ryabukhin、Andrey S. Plaskon、Andrey A. Tolmachev

  DOI：10.1055/s-2004-832852

  日期：——

  A set of 5-(2-hydroxybenzoyl)-pyrid-2-ones, which are analogous to cardiotonic drugs such as milrinone, has been prepared in high yield by recyclization of 3-formylchromones with acetic acid amides having at the α-position an electron-withdrawing group. The best reaction conditions were found to be heating in DMF in the presence of Me3SiCl as a promoter and water scavenger.

  一组5-(2-羟基苯甲酰)-吡啶-2-酮的化合物，类似于米利酮等强心药，通过将3-醛基香豆素与在α位具有电子吸引基团的乙酸酰胺进行再环化高产量制备而成。最佳反应条件是将反应体系加热于DMF中，并添加Me3SiCl作为促进剂和脱水剂。