3,4’-二氨基苯酰替苯胺 | 2657-93-4

• 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: 3,4’-二氨基苯酰替苯胺
• 中文别名: 3,4'-二氨基苯酰替苯胺
• 英文名称: 3',4-Diaminobenzanilid
• 英文别名: 3-amino-N-(4-aminophenyl)benzamide
• CAS: 2657-93-4
• 化学式: C₁₃H₁₃N₃O
• mdl: MFCD00578827
• 分子量: 227.266
• InChiKey: UDKYPBUWOIPGDY-UHFFFAOYSA-N

物化性质

• 熔点：
  150-151 °C
• 沸点：
  386.9±27.0 °C(Predicted)
• 密度：
  1.314±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4’-二氨基苯酰替苯胺 在 sodium azide 、 sodium nitrite 作用下， 以 various solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Isomeric N-(Nitrenophenyl)nitrenobenzamides. Comparison of the Energy Differences between Their Singlet and Quintet States Obtained Computationally and Experimentally

  摘要：

  The sign and magnitude of the intramolecular magnetic coupling between the two triplet nitrene units through the benzanilide chromophore have beep studied by temperature dependence of their EPR fine structures; The results that the interactions are ferromagnetic in the m,p' and m',p isomers and antiferromagnetic in the p,p' and m,m' isomers were corroborated by semiempirical CI calculations.

  DOI：

  10.1021/jo00087a007
• 作为产物：
  描述：

  3-硝基-N-(4-硝基苯基)苯甲酰胺 在 盐酸 、 tin(ll) chloride 作用下， 以 水 为溶剂， 反应 2.0h， 以99%的产率得到3,4’-二氨基苯酰替苯胺
  参考文献：
  名称：

  在计算机中设计，合成和筛选靶向HIV-1复制的新型脱氧hy合酶抑制剂

  摘要：

  人类酶脱氧hysupsine合酶（DHS）是重要的宿主细胞因子，参与真核起始因子5A（eIF-5A）的翻译后hysupsine修饰。酪氨酸修饰的eIF-5A在多种疾病中起作用，包括HIV感染/艾滋病。因此，DHS代表了一种新颖且有吸引力的药物靶标。到目前为止，已有四种晶体结构可用，并且已经测试了多种物质对人DHS的抑制作用。在这些抑制剂中，N在DHS的活性位点中共结晶了1个鸟苷1，7个二氨基庚烷（GC7）。然而，尽管具有效力，GC7的选择性不足以用于药物应用。因此，需要靶向DHS的新化合物。在这里，我们报告了新型DHS抑制剂的计算机设计，化学合成和生物学评估。这些抑制剂中的一种在体外对DHS表现出剂量依赖性抑制作用，并在细胞培养物中抑制HIV复制。此外，该化合物在活性浓度下没有表现出细胞毒性作用。因此，这种设计的化合物证明了原理，并代表了开发新药物候选物以特异性干扰DHS活性的有希望的起点。

  DOI：

  10.1002/cmdc.201300481

文献信息

• Inhibition studies on Mycobacterium tuberculosis N-acetylglucosamine-1-phosphate uridyltransferase (GlmU)
  作者：Anh Thu Tran、Daying Wen、Nicholas P. West、Edward N. Baker、Warwick J. Britton、Richard J. Payne

  DOI：10.1039/c3ob41896k

  日期：——

  Peptidoglycan is an essential component of the cell wall of bacteria, including Mycobacterium tuberculosis, that provides structural strength and rigidity to enable internal osmotic pressure to be withstood. The first committed step in the biosynthesis of peptidoglycan involves the formation of uridine diphosphate-N-acetylglucosamine (UDP-GlcNAc) from uridine triphosphate (UTP) and GlcNAc-1-phosphate. This reaction is catalysed by N-acetylglucosamine-1-phosphate uridyltransferase (GlmU), a bifunctional enzyme with two independent active sites that possess acetyltransferase and uridyltransferase activities. Herein, we report the first inhibition study targeted against the uridyltransferase activity of M. tuberculosis GlmU. A number of potential inhibitors were initially prepared leading to the discovery of active aminoquinazoline-based compounds. The most potent inhibitor in this series exhibited an IC50 of 74 μM against GlmU uridyltransferase activity and serves as a promising starting point for the discovery of more potent inhibitors.

  肽聚糖是细菌细胞壁的重要组成部分，包括结核分枝杆菌，它为细胞提供结构强度和刚性，以抵御内部渗透压。肽聚糖生物合成中的第一个关键步骤是尿苷二磷酸-N-乙酰氨基葡萄糖（UDP-GlcNAc）从尿苷三磷酸（UTP）和GlcNAc-1-磷酸形成。此反应由N-乙酰氨基葡萄糖-1-磷酸尿苷转移酶（GlmU）催化，GlmU是一种双功能酶，具有两个独立的活性位点，分别具备乙酰转移酶和尿苷转移酶活性。在此，我们报告了针对结核分枝杆菌GlmU的尿苷转移酶活性的首次抑制研究。最初准备了一些潜在抑制剂，导致发现了活性氨基喹唑啉类化合物。在这一系列中，最有效的抑制剂对GlmU尿苷转移酶活性的IC50为74μM，是发现更高效抑制剂的良好起点。
• POLYIMIDE RESIN
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20160137789A1

  公开（公告）日：2016-05-19

  A polyimide resin contains repeating structural units represented by formulas (1) and (2), wherein the content of the repeating structural unit represented by formula (2) relative to the total of the repeating structural unit represented by formula (1) and the repeating structural unit represented by formula (2) falls within a specific range and the content of the divalent group represented by the following structural formula (B1) falls within a specific range: X 1 represents a tetravalent group containing an alicyclic hydrocarbon structure and having a carbon number of from 4 to 22. X 2 represents a tetravalent group containing an aromatic ring and having a carbon number of from 6 to 22. R 1 and R 2 each independently represent a divalent organic group, and the content of the divalent group represented by the following structural formula (B1) relative to the total of R 1 and R 2 is from 80 to 100 mol %:

  一种聚酰亚胺树脂包含由式（1）和（2）表示的重复结构单元，其中由式（2）表示的重复结构单元相对于由式（1）和（2）表示的重复结构单元的总量落在特定范围内，且由下列结构式（B1）表示的二价基团的含量落在特定范围内：X1代表含有脂环烃结构且碳数为4至22的四价基团。X2代表含有芳香环且碳数为6至22的四价基团。R1和R2各自独立地代表二价有机基团，且由下列结构式（B1）表示的二价基团相对于R1和R2的总量为80至100摩尔%。
• NOVEL POLYIMIDE PRECURSOR COMPOSITION AND USE THEREOF
  申请人：Fujihara Kan

  公开号：US20100132989A1

  公开（公告）日：2010-06-03

  An object of the present invention is to provide a polyimide precursor composition solution that (i) uses no siloxane diamine, (ii) is curable at low temperature (not more than 250° C.) and (iii) has low viscosity regardless of its high concentration, and a photosensitive resin composition, photosensitive resin film, a thermosetting resin composition, a polyimide insulating film, and a printed wiring board with an insulating film, each of which has good physical properties and is obtained by use of the polyimide precursor composition solution. The foregoing object is attained by using a polyimide precursor composition solution which includes at least a (A) urethane imide oligomer having a terminal carboxylic acid group and a (B) diamino compound and/or isocyanate compound.

  本发明的目的是提供一种聚酰亚胺前体组成物溶液，其(i)不使用硅氧烷二胺，(ii)可在低温（不超过250℃）下固化，且(iii)具有低粘度，无论其浓度如何，并提供一种光敏树脂组成物、光敏树脂膜、热固性树脂组成物、聚酰亚胺绝缘膜以及带有绝缘膜的印制电路板，每种产品都具有良好的物理性能，并通过使用聚酰亚胺前体组成物溶液获得。通过使用聚酰亚胺前体组成物溶液，该溶液至少包括(A)具有端羧基的聚氨酯酰亚胺寡聚体和(B)二胺化合物和/或异氰酸酯化合物，从而实现了上述目的。
• POLYIMIDE PRECURSOR, POLYIMIDE, AND MATERIALS TO BE USED IN PRODUCING SAME
  申请人：Takasawa Ryoichi

  公开号：US20130178597A1

  公开（公告）日：2013-07-11

  Disclosed is a novel co-polyimide precursor for producing a polyimide having high transparency. The co-polyimide precursor comprises a unit structure represented by general Formula (A1) and a unit structure represented by general Formula (A2): wherein, in general Formula (A1), R 1 represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; and R 2 and R 3 each independently represent a hydrogen atom, an alkyl group having 1 to 6 carbon atoms, or an alkylsilyl group having 3 to 9 carbon atoms, wherein, in general Formula (A2), R 4 represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; R 5 and R 6 each independently represent a hydrogen, an alkyl group having 1 to 6 carbon atoms, or an alkylsilyl group having 3 to 9 carbon atoms; and X represents a tetravalent group other than those represented by Formulae (A3):

  本发明涉及一种新型共聚酰亚胺前体，用于制备具有高透明度的聚酰亚胺。该共聚酰亚胺前体包括由通式（A1）表示的单元结构和由通式（A2）表示的单元结构：其中，在通式（A1）中，R1表示氢原子或具有1至4个碳原子的烷基基团；R2和R3各自独立地表示氢原子、具有1至6个碳原子的烷基基团或具有3至9个碳原子的烷基硅基团，在通式（A2）中，R4表示氢原子或具有1至4个碳原子的烷基基团；R5和R6各自独立地表示氢原子、具有1至6个碳原子的烷基基团或具有3至9个碳原子的烷基硅基团；X表示除通式（A3）所表示的四价基团以外的四价基团。
• PREPREG AND CARBON FIBER-REINFORCED COMPOSITE MATERIAL
  申请人：TORAY INDUSTRIES, INC.

  公开号：US20150210813A1

  公开（公告）日：2015-07-30

  A prepreg includes; sizing agent-coated carbon fibers coated with a sizing agent; and a thermosetting resin composition impregnated into the sizing agent-coated carbon fibers. The sizing agent includes an aliphatic epoxy compound (A) and an aromatic compound (B) at least containing an aromatic epoxy compound (B1). The thermosetting resin composition includes a thermosetting resin (D) and a latent hardener (E), and optionally includes an additive (F) other than the thermosetting resin (D) and the latent hardener (E). The (a)/(b) ratio is within a predetermined range where (a) is the height of a component at a binding energy assigned to CHx, C—C, and C═C and (b) is the height of a component at a binding energy assigned to C—O in a C 1s core spectrum of the surfaces of the sizing agent-coated carbon fibers analyzed by X-ray photoelectron spectroscopy.

  预浸料包括：涂有分散剂的碳纤维，涂有分散剂；以及浸渍在涂有分散剂的碳纤维中的热固性树脂组合物。分散剂包括脂肪族环氧化合物（A）和至少含有芳香族环氧化合物（B1）的芳香族化合物（B）。热固性树脂组合物包括热固性树脂（D）和潜在硬化剂（E），并且可选地包括除热固性树脂（D）和潜在硬化剂（E）以外的添加剂（F）。在由X射线光电子能谱分析的涂有分散剂的碳纤维表面的C1s光谱中，（a）是分配给CHx，C-C和C═C的结合能的组分高度，（b）是分配给C-O的结合能的组分高度，（a）/（b）比值在预定范围内。