3-amino-4,7-dibromonaphthalene-2-carbocylic acid | 856071-79-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-amino-4,7-dibromonaphthalene-2-carbocylic acid
• 英文别名: 3-amino-4,7-dibromonaphthalene-2-carboxylic acid；3-amino-4,7-dibromo-[2]naphthoic acid；3-Amino-4,7-dibrom-[2]naphthoesaeure；3-Amino-4,7-dibromo-2-naphthoic acid
• CAS: 856071-79-9
• 化学式: C₁₁H₇Br₂NO₂
• 分子量: 344.99
• InChiKey: VFTNUMYAHYMEKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-amino-4,7-dibromonaphthalene-2-carbocylic acid 在 盐酸 、 tin 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 17.0h， 以97%的产率得到3-amino-7-dibromonaphthalene-2-carboxylic acid
  参考文献：
  名称：

  设计和合成苯并as啶作为雌激素和抗雌激素剂

  摘要：

  毫无疑问，雌激素起着重要的生理作用，但是终生暴露于雌激素也与乳腺癌的发展有关。而且，雌激素水平失调与各种症状如骨质疏松和更年期疾病有关。为了改善这种雌激素失衡，具有调节特性的雌激素试剂显示出有希望的潜力。在这里，我们通过提供无毒的雌激素和抗雌激素剂的多元化导向策略报告了12-芳基苯并ac啶文库的构建。在分子边缘带有羟基的衍生物表现出对雌激素受体α（ERα）和ERβ的有效结合亲和力（IC 50尽管未与雌激素相关受体γ（ERRγ）结合，即雌激素常常触发不良事件的孤儿核受体，但未观察到<μM）。这些发现为12-芳基苯并ac啶类化合物作为开发选择性雌激素受体调节剂（SERM）的新平台提供了宝贵的见识。

  DOI：

  10.1016/j.bmc.2017.07.067
• 作为产物：
  描述：

  3-Acetylamino-4-nitro-[2]naphthoesaeure 在 氢溴酸 、 溴 、 溶剂黄146 作用下， 生成 3-amino-4,7-dibromonaphthalene-2-carbocylic acid
  参考文献：
  名称：

  198.氨基羟基萘甲酸。第二部分 尝试从3-氨基-2-萘甲酸合成7-氨基-4-羟基-2-萘甲酸（“羧基j-酸”）

  摘要：

  DOI：

  10.1039/jr9500000961

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Hiebert Sheldon

  公开号：US20100080770A1

  公开（公告）日：2010-04-01

  Hepatitis C virus inhibitors having the general formula are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

  揭示了具有一般式的丙型肝炎病毒抑制剂。还揭示了包含这些化合物的组合物以及使用这些化合物抑制HCV的方法。
• HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME
  申请人：Ikegami Hiroshi

  公开号：US20110071291A1

  公开（公告）日：2011-03-24

  A hydrazide compound represented by the formula (1): (wherein R 1 , R 2 , R 3 , R 4 , A 1 , A 2 , J, Q and n are defined in the specification) has excellent pesticidal activity.

  一个由公式（1）表示的腙酰肼化合物：（其中R1，R2，R3，R4，A1，A2，J，Q和n在说明书中定义）具有优异的杀虫活性。
• Hydrazide Compound and Pesticidal Use of the Same
  申请人：Ikegami Hiroshi

  公开号：US20090181956A1

  公开（公告）日：2009-07-16

  A hydrazide compound represented by the formula (1): has excellent pesticidal activity.

  一种由式（1）表示的腙酰肼类化合物具有出色的杀虫活性。
• Hydrazide compounds as intermediates of pesticides
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2251336A1

  公开（公告）日：2010-11-17

  The compounds represented by the formulae (2-i) and (II) are intermediates for the preparation of pesticides.

  式（2-i）和（II）所代表的化合物 是制备杀虫剂的中间体。
• Exploring the Limits of DNA Size:  Naphtho-Homologated DNA Bases and Pairs
  作者：Alex H. F. Lee、Eric T. Kool

  DOI：10.1021/ja0619004

  日期：2006.7.19

  A new design for DNA bases and base pairs is described in which the pyrimidine bases are widened by naphtho-homologation. Two naphtho-homologated deoxyribosides, dyyT (1) and dyyC (2), were synthesized and could be incorporated into oligonucleotides as suitably protected phosphoramidite derivatives. The deoxyribosides were found to be fluorescent, with emission maxima at 446 and 433 nm, respectively. Studies with single substitutions of 1 and 2 in the natural DNA context revealed exceptionally strong base stacking propensity for both. Sequences containing multiple substitutions of 1 and 2 paired opposite adenine and guanine were subsequently mixed and studied by several analytical methods. Data from UV mixing experiments, FRET measurements, fluorescence quenching experiments, and hybridizations on beads suggest that complementary "doublewide DNA" (yyDNA) strands may self-assemble into helical complexes with 1: 1 stoichiometry. Data from thermal denaturation plots and CD spectra were less conclusive. Control experiments in one sequence context gave evidence that yyDNA helices, if formed, are preferentially antiparallel and are sequence selective. Hypothesized base pairing schemes are analogous to Watson-Crick pairing, but with glycosidic C1'-C1' distances widened by over 45%, to ca. 15.2 angstrom. The possible self-assembly of the double-wide DNA helix establishes a new limit for the size of information-encoding, DNA-like molecules, and the fluorescence of yyDNA bases suggests uses as reporters in monomeric and oligomeric forms.