1-(2-溴-1,3-噻唑-5-基)甲胺 | 131748-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(2-溴-1,3-噻唑-5-基)甲胺
• 中文别名: 2-溴-5-氨基甲基-噻唑盐酸
• 英文名称: 2-bromo-5-thiazolylmethylamine
• 英文别名: 2-bromo-5-(aminomethyl)thiazole；5-(aminomethyl)-2-bromothiazole；(2-Bromothiazol-5-yl)methanamine；(2-bromo-1,3-thiazol-5-yl)methanamine
• CAS: 131748-92-0
• 化学式: C₄H₅BrN₂S
• mdl: MFCD07368377
• 分子量: 193.067
• InChiKey: JZLXHPPZGZESTM-UHFFFAOYSA-N

物化性质

• 沸点：
  263.9±15.0 °C(Predicted)
• 密度：
  1.782±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P310,P330,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  2735
• 危险性描述：
  H302,H312,H315,H318,H332,H335

反应信息

• 作为反应物：
  描述：

  丙醇 、 1-(2-溴-1,3-噻唑-5-基)甲胺 在 sodium 作用下， 以 丙醇 为溶剂， 生成 (2-Propoxy-1,3-thiazol-5-yl)methanamine
  参考文献：
  名称：

  含芳族甲胺基团的2-氰基丙烯酸酯的合成，除草活性和3D-QSAR。

  摘要：

  合成了一系列含有不同芳环的新型2-氰基丙烯酸酯，并通过（1）NMR，元素分析和单晶X射线衍射分析对它们的结构进行了表征。评价了它们对四种杂草的除草活性以及对分离的叶绿体的光合电子传递的抑制作用（希尔反应）。体内和体外数据均显示，含有苯，吡啶和噻唑部分的化合物比含有嘧啶，哒嗪，呋喃和四面体呋喃部分的化合物具有更高的活性。为了在体外数据的基础上进一步探索全面的构效关系，我们进行了比较分子场分析（CoMFA），

  DOI：

  10.1021/jf072851x
• 作为产物：
  描述：

  2-溴-5-溴甲基噻唑 在 potassium phtalimide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 1-(2-溴-1,3-噻唑-5-基)甲胺
  参考文献：
  名称：

  Guanidine derivatives, their production and insecticides

  摘要：

  一种含有以下式的胍衍生物的杀虫组合物：##STR1## 其中R.sup.1是一个可选择取代的同核或异核环基团，n为0或1，R.sup.2是氢原子或可选择取代的碳氢基团，R.sup.3是一次、二次或三次氨基团，X是一个电子亲和基团，如硝基或三氟乙酰基团，但当n为0时，R.sup.1是可选择取代的异核环基团或其盐。

  公开号：

  US05034404A1

文献信息

• Guanidine derivatives their production and insecticides
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05633375A1

  公开（公告）日：1997-05-27

  An insecticidal composition containing a guanidine derivative of the formula: ##STR1## wherein R.sup.1 is an optionally substituted homocyclic or heterocyclic group, n is 0 or 1, R.sup.2 is a hydrogen atom or an optionally substituted hydrocarbon group, R.sup.3 is a primary, secondary or tertiary amino group, X is an electron attractive group such as nitro or trifluoroacetyl group, provided that when n is 0, R.sup.1 is an optionally substituted heterocyclic group or a salt thereof.

  一种杀虫组合物，包含以下式子的脲类衍生物：##STR1## 其中，R1是可选取的取代的同环或异环基团，n为0或1，R2是氢原子或可选取的取代的碳氢基团，R3是一级、二级或三级氨基团，X是电子吸引基团，例如硝基或三氟乙酰基团，但当n为0时，R1是可选取的取代的异环基团或其盐。
• Design, Synthesis, and Biological Activities of Arylmethylamine Substituted Chlorotriazine and Methylthiotriazine Compounds
  作者：Huaping Zhao、Yuxiu Liu、Zhipeng Cui、David Beattie、Yucheng Gu、Qingmin Wang

  DOI：10.1021/jf203383s

  日期：2011.11.9

  Heterocyclic rings were introduced into the core structure of s-triazine to design and synthesize a series of novel triazines containing arylmethylamino moieties These compounds were characterized by using spectroscopic methods and elemental analysis Their herbicidal, insecticidal, fungicidal, and antitumor activities were evaluated Most Of these compounds exhibited good herbicidal activity, especially against the dicotyledonous weeds, and compound F8 was almost at the same level as the control compound atrazine Their structure activity relationships were discussed At the same tune, some triazines had interesting fungicidal and insecticidal activities, of which F4 exhibited 100% efficacy against Puccinia triticina even at 20 ppm, and F5 showed Lepidopteran-specific activity in both leaf-piece and artificial diet assays, Moreover, these compounds showed antitumor activities against leukemia HL-60 Cell line and lung adenocarcinoma A-549 cell line
• [EN] COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS<br/>[FR] COMPOSÉS ET LEUR UTILISATION COMME INHIBITEURS D'HDAC6
  申请人：[en]AUGUSTINE THERAPEUTICS

  公开号：WO2023118507A2

  公开（公告）日：2023-06-29

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt and/or solvate thereof, wherein Y1is a 9- or 10-membered bicyclic heteroaryl, Y2is a 5-membered heteroaryl, Z1is selected from (C=O)-R9, S(O)-R9and S(O2)-R9, L is an alkyl-, cycloalkyl- or heterocycloalkyl-based linker, and R1and R9may be various groups. The present invention further relates to a compound of formula (I) as HDAC6 inhibitor, typically for use in the treatment and/or the prevention of an HDAC6-associated disease, such as cancers, neurodegenerative diseases, neuropathies or cardiovascular diseases.
• Synthesis, Herbicidal Activities, and 3D-QSAR of 2-Cyanoacrylates Containing Aromatic Methylamine Moieties
  作者：Yu-Xiu Liu、Deng-Guo Wei、Ye-Rong Zhu、Shao-Hua Liu、Yong-Lin Zhang、Qi-Qi Zhao、Bao-Li Cai、Yong-Hong Li、Hai-Bin Song、Ying Liu、Yong Wang、Run-Qiu Huang、Qing-Min Wang

  DOI：10.1021/jf072851x

  日期：2008.1.1

  data showed that the compounds containing benzene, pyridine, and thiazole moieties gave higher activities than those containing pyrimidine, pyridazine, furan, and tetrahedronfuran moieties. To further explore the comprehensive structure-activity relationship on the basis of in vitro data, comparative molecular field analysis (CoMFA) was performed, and the results showed that a bulky and electronegative

  合成了一系列含有不同芳环的新型2-氰基丙烯酸酯，并通过（1）NMR，元素分析和单晶X射线衍射分析对它们的结构进行了表征。评价了它们对四种杂草的除草活性以及对分离的叶绿体的光合电子传递的抑制作用（希尔反应）。体内和体外数据均显示，含有苯，吡啶和噻唑部分的化合物比含有嘧啶，哒嗪，呋喃和四面体呋喃部分的化合物具有更高的活性。为了在体外数据的基础上进一步探索全面的构效关系，我们进行了比较分子场分析（CoMFA），
• Guanidine derivatives, their production and insecticides
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05034404A1

  公开（公告）日：1991-07-23

  An insecticidal composition containing a guanidine derivative of the formula: ##STR1## wherein R.sup.1 is an optionally substituted homocyclic or heterocyclic group, n is 0 or 1, R.sup.2 is a hydrogen atom or an optionally substituted hydrocarbon group, R.sup.3 is a primary, secondary or tertiary amino group, X is an electron attractive group such as nitro or trifluoroacetyl group, provided that when n is 0, R.sup.1 is an optionally substituted heterocyclic group or a salt thereof.

  一种含有以下式的胍衍生物的杀虫组合物：##STR1## 其中R.sup.1是一个可选择取代的同核或异核环基团，n为0或1，R.sup.2是氢原子或可选择取代的碳氢基团，R.sup.3是一次、二次或三次氨基团，X是一个电子亲和基团，如硝基或三氟乙酰基团，但当n为0时，R.sup.1是可选择取代的异核环基团或其盐。