2,6-二氯-3-甲氧基苯甲醛 | 6505-37-9

• 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: 2,6-二氯-3-甲氧基苯甲醛
• 英文名称: 2,6-dichloro-3-methoxybenzaldehyde
• CAS: 6505-37-9
• 化学式: C₈H₆Cl₂O₂
• 分子量: 205.04
• InChiKey: BOEYOJGUYQCWTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-二氯-3-甲氧基苯甲醛 在 硫酸 、 三溴化硼 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 3.5h， 生成 2,4-dichloro-3-[1,2-diamino-2-(2,6-dichloro-3-hydroxyphenyl)ethyl]phenol
  参考文献：
  名称：

  Synthesis and evaluation of the anti-mammary tumor activity and of the estrogenic side effects of [1,2-bis(2,6-dihalo-3-hydroxyphenyl)ethylenediamine]platinum(II) complexes

  摘要：

  The synthesis and structural characterization of mammary tumor-inhibiting, diastereomeric [1,2-bis(2,6-dihalo-3-hydroxyphenyl) ethylenediamine]platinum(II) complexes with 2,6-Cl2, 2-F, 6-Cl, 2-Cl, 6-F and 2,6-F2 substituents (1-PtSO4 to 4-PtSO4) are described. The related 1,2-diphenylethylenediamines (1-4) are synthesized by stereoselective meso-meso and D,L-D,L diaza-Cope-rearrangement reactions and coordinated to platinum(II) with K2PtI4 (1-PtI2 to 4-PtI2). The subsequent reaction with Ag2SO4 leads to the respective sulfatoplatinum(II) complexes. They were tested for their anti-tumor activities on die hormone-sensitive and- insensitive MXT mammary carcinoma implanted in mice (MXT-MC, ER+ and MXT-MC, ER-). Complexes with F atoms in the neighborhood of the 3-hydroxy group showed strong inhibitory effects on the MXT-MC, ER+. The best effects were found for the diastereomeric 2,6-F2-substituted complexes, meso-4-PtSO4 and D,L-4-PtSO4. These complexes are strongly active both on the MXT-MC, ER+ and the MXT-MC, ER- and cause no estrogenic side effects.

  DOI：

  10.1016/0223-5234(93)90003-w
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 2,6-二氯-3-甲氧基苯甲醛
  参考文献：
  名称：

  Hodgson; Beard, Journal of the Chemical Society, 1926, p. 154

  摘要：

  DOI：

文献信息

• [EN] ROR NUCLEAR RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS NUCLÉAIRES ROR
  申请人：ABBVIE INC

  公开号：WO2016198908A1

  公开（公告）日：2016-12-15

  The invention provides compounds of Formula (I) pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological conditions.

  本发明提供了式(I)化合物的药物可接受的盐、前药、生物活性代谢物、立体异构体和它们的同分异构体，其中变量如本文所述定义。本发明的化合物用于治疗免疫性疾病。
• [EN] SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS<br/>[FR] DÉRIVÉS D'AMINES SPIRO-CYCLIQUES EN TANT QUE MODULATEURS DE S1P
  申请人：ABBOTT HEALTHCARE PRODUCTS BV

  公开号：WO2012004378A1

  公开（公告）日：2012-01-12

  The present invention relates spiro- cyclic amine derivatives of the formula (I) wherein R1; R2; R3; Q; -W-T-; R5; Z; and A have the definitions provided in the claims; or a pharmaceutically acceptable salt, a solvate or hydrate thereof or one or more N-oxides thereof. The compounds of the invention have affinity to S1P receptors and may be used in the treatment, alleviation or prevention of diseases and conditions in which (a) S1P receptor (s) is (are) involved.

  本发明涉及式(I)的螺环胺衍生物，其中R1; R2; R3; Q; -W-T-; R5; Z; 和A具有索赔中提供的定义；或者其药学上可接受的盐、溶剂合物或水合物，或一个或多个N-氧化物。本发明的化合物具有对S1P受体的亲和力，并可用于治疗、缓解或预防涉及S1P受体的疾病和症状。
• Invesgations on the Influence of Halide Substituents on the Estrogen Receptor Interaction of 2, 4, 5-Tris(4-hydroxyphenyl)imidazoles
  作者：Ronald Gust、Sandra Busch、Roland Keilitz、Kathrin Schmidt、Moriz von Rauch

  DOI：10.1002/ardp.200300729

  日期：2003.10

  with [3H]estradiol the imidazoles with the a C2‐standing (2, 6‐dichloro‐4‐hydroxyphenyl) ring showed an RBA >0.02 %, but did not activate the luciferase gene in estrogen receptor positive MCF‐7‐2a breast cancer cells stably transfected with the plasmid EREwtcluc. In the test for antagonistic potency only the 2‐(2, 6‐dichloro‐4‐hydroxyphenyl)‐4, 5‐bis(4‐hydroxyphenyl)imidazole 3 antagonized the effects

  之前，我们报道了咪唑的合成和雌激素受体 (ER) 相互作用，咪唑必须是 1-烷基-4, 5-双（2-卤代-4-羟基苯基）取代高相对结合亲和力（RBA> 1 %）。这导致假设极性杂环系统的屏蔽是 ER 结合的先决条件。为了继续这项研究，我们合成了 2, 4, 5-三（4-羟基苯基）咪唑，在芳环的邻位具有 Cl - 或 F - 原子，并评估它们是否为 ER 相互作用介导足够的疏水性。2- (2, 6 - 二氯 - 3/4 - 羟基苯基) -4, 5- 双 (2- 卤代 - 4- 羟基苯基) 咪唑是通过各自的甲氧基取代苄基与 2, 6 - 反应合成的二氯-4-甲氧基-或2,6-二氯-3-甲氧基苯甲醛在乙酸铵溶液中。随后用 BBr3 进行所需的醚裂解。在与[3H]雌二醇的竞争实验中，具有C2-站立（2,6-二氯-4-羟基苯基）环的咪唑显示RBA>0.02%，但未激活雌激素受体阳性MCF-7中的荧光素酶基因-2a
• Formation of1H-Aziridines from Chalcones and Hydroxylamine
  作者：Thomas Kammermeier、Alexander Kaiser、Gwan Sun Lee、Thomas Burgemeister、Wolfgang Wiegrebe

  DOI：10.1002/ardp.19943270403

  日期：——

  Highly substituted chalcones 1 do not react with two molecules of hydroxylamine affording dioximes 2 or hydroxyamino‐oximes 3 as expected according to von Auwers' procedure: only one molecule of hydroxylamine is consumed leading to trans‐configurated 2‐benzoyl‐3‐phenyl‐1H‐aziridines 4.

  高度取代的查耳酮 1 不与两分子羟胺反应，产生二肟 2 或羟氨基肟 3，根据 von Auwers 的程序：仅消耗一分子羟胺导致反式构型 2-苯甲酰基-3-苯基-1H -氮丙啶 4.
• Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1
  申请人：Aicher Thomas Daniel

  公开号：US20080275043A1

  公开（公告）日：2008-11-06

  The present invention discloses compounds of Formula I: (I) having 11beta-HSD type 1 antagonist activity, as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula I, as well as the use of the Fomula I and compositions as medicaments to treat diabetes, hyperglycemia, obesity, hypertension, hyperlipidemia, Syndrome X, and other conditions associated with hyperglycemia.

  本发明公开了具有11beta-HSD type 1拮抗活性的化合物的公式I：（I），以及制备这种化合物的方法。在另一实施例中，本发明公开了包含公式I化合物的制药组合物，以及将公式I和组合物用作药物治疗糖尿病，高血糖，肥胖症，高血压，高脂血症，综合征X和与高血糖有关的其他疾病的用途。