(2-chlorophenyl)phenylbromomethane | 75341-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-chlorophenyl)phenylbromomethane
• 英文别名: (2-chlorophenyl)(phenyl)methyl bromide；1-(Bromo(phenyl)methyl)-2-chlorobenzene；1-[bromo(phenyl)methyl]-2-chlorobenzene
• CAS: 75341-34-3
• 化学式: C₁₃H₁₀BrCl
• 分子量: 281.579
• InChiKey: QEXFSCXHVUYDGA-UHFFFAOYSA-N

物化性质

• 沸点：
  327.1±27.0 °C(Predicted)
• 密度：
  1.446±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (2-chlorophenyl)phenylbromomethane 生成 [(2-Chloro-phenyl)-phenyl-methyl]-phosphonic acid
  参考文献：
  名称：

  Benzylphosphonic acid inhibitors of human prostatic acid phosphatase

  摘要：

  A series of alpha-substituted benzylphosphonic acids is described as inhibitors of human prostatic acid phosphatase, an enzyme which has been used as a model to study aryl phosphatases. The most potent inhibitors in this series are 2-trifluoromethylbenzhydrylphosphonic acid (9 mu M), and alpha-(2-phenylethyl)benzylphosphonic acid (14 mu M) The structure-activity studies suggest that bulk tolerance beyond the phosphate binding area limits the steric or hydrophobic contribution to inhibitor potency achieved through alpha-carbon substitution.

  DOI：

  10.1016/0960-894x(96)00018-2
• 作为产物：
  描述：

  (2-氯苯基)-苯甲醇 在 氢溴酸 作用下， 生成 (2-chlorophenyl)phenylbromomethane
  参考文献：
  名称：

  肉桂基哌嗪衍生物的合成及其抗惊厥活性

  摘要：

  以不同的二苯甲酮为原料合成了一系列肉桂基哌嗪衍生物。化合物的结构由其IR，1 H-NMR光谱数据和质谱数据证实。这些化合物的抗惊厥活性通过最大电击（MES）试验和腹膜内注射的rotarod试验在昆明小鼠上进行评估。在所有氟尿利嗪类似物中，没有人比氟尿利嗪具有更好的抗惊厥活性。氟硝利嗪（4i）表现出抗惊厥活性，通过腹膜内给药，ED50为38.1 mg / kg，TD50为164.3 mg / kg，PI为4.3，口服ED50为56.8 mg / kg，TD50为456.3 mg / kg，PI为8.0行政。

  DOI：

  10.2174/157018010792929595

文献信息

• Tricyclic compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06248766B1

  公开（公告）日：2001-06-19

  A compound of the formula: wherein R1 is H or a substituent; m is 1-3; Ar is an aromatic group which may be substituted; X is a bond or a divalent straight-chain group having 1-6 atoms which may be substituted; Y is —S—, —O—, or —N(R2— (R2 is H or a substituent group), Z is —N═ or —C(R3)═ (R3 is H or a hydrocarbon group), ring A is a benzene ring; ring B is a 5- to 7-membered ring which may be substituted, or a salt thereof is useful for eliciting a prostaglandin I2 receptor agonistic effect.

  该公式的化合物： 其中R1为H或取代基；m为1-3；Ar为可能被取代的芳香基团；X为键或具有1-6个原子的二价直链基团，可能被取代；Y为—S—，—O—或—N(R2— (R2为H或取代基团)，Z为—N═或—C(R3)═ (R3为H或碳氢基团)，环A为苯环；环B为可能被取代的5-至7-成员环，或其盐对诱导前列腺素I2受体激动效应有用。
• Synthesis, Biological Evaluation, and Binding Mode of Novel 1-[2-(Diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles Targeted at the HIV-1 Reverse Transcriptase
  作者：Romano Silvestri、Marino Artico、Gabriella De Martino、Rino Ragno、Silvio Massa、Roberta Loddo、Chiara Murgioni、Anna Giulia Loi、Paolo La Colla、Alessandra Pani

  DOI：10.1021/jm010904a

  日期：2002.4.1

  A novel series of 1-[2-(diarylmethoxy)ethyl]-2-methyl-5-nitroimidazole (DAMNI) analogues were synthesized and tested in cell-based assays and in enzyme assays against HIV-1 recombinant reverse transcriptase (RT). Preparation of the new derivatives was performed by reacting the appropriate benzhydrols or the corresponding bromides with 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole or the 3-hydroxypropyl

  合成了一系列新型的1- [2-（二芳基甲氧基）乙基] -2-甲基-5-硝基咪唑（DAMNI）类似物，并在基于细胞的检测和针对HIV-1重组逆转录酶（RT）的酶检测中进行了检测。新的衍生物的制备是通过使适当的苯甲醇或相应的溴化物与1-（2-羟乙基）-2-甲基-5-硝基咪唑或3-羟丙基同系物反应来进行的。几种化合物在亚微摩尔范围内显示抗HIV-1活性。结构活性关系研究表明，二芳基甲烷部分的一个苯环上的间位取代会强烈影响其抗病毒活性。在相同的苯环上的3，5-二取代导致衍生物效力降低。RT非核苷结合位点内的分子建模和对接研究证实，DAMNIs，与其他NNRTIs（例如TNK-651和delavirdine（BHAP U90152））相似，假定蝴蝶状构象似乎介于经典NNRTIs（例如奈韦拉平，HEPT，TBZ，TIBO和DABO）的中间， BHAP。特别地，二苯基甲烷部分模拟了机翼，而1-（2-甲基
• [EN] MODULATORS OF TREX1<br/>[FR] MODULATEURS DE TREX1
  申请人：CONSTELLATION PHARMACEUTICALS INC

  公开号：WO2022235725A1

  公开（公告）日：2022-11-10

  Provided are compounds of Formula (I): and pharmaceutically acceptable salts and compositons thereof, which are useful for treating a variety of conditions associated with TREX1.

  提供的是式(I)化合物及其药学上可接受的盐和组合物，可用于治疗与TREX1相关的各种疾病。
• Novel 1-[2-(Diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. A Structure−Activity Relationship Investigation
  作者：Gabriella De Martino、Giuseppe La Regina、Alessandra Di Pasquali、Rino Ragno、Alberto Bergamini、Chiara Ciaprini、Anna Sinistro、Giovanni Maga、Emmanuele Crespan、Marino Artico、Romano Silvestri

  DOI：10.1021/jm050273a

  日期：2005.6.1

  1-[2-(Diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles (DAMNIs) is a novel family of HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) active at submicromolar concentration. Replacement of one phenyl ring of 1-[2-(diphenylmethoxy)ethyl]-2-methyl-5-nitroimidazole (4) with heterocyclic rings, such as 2-thienyl or 3-pyridinyl, led to novel DAMNIs with increased activity. In HIV-1 WT cell-based assay the racemic 1-2-alpha-(thiophen-2-yl)phenylmethoxylethyl}-2-methyl-5-nitroimidazole (7) (EC50 = 0.03 mu M) proved 5 times more active than compound 4. Docking experiments showed that the introduction of a chiral center would not affect the binding of both (R)-7 and (S)-7. The internal scoring function of the Autodock program calculated the same inhibition constant (K-i = 7.9 nM) for the two enantiomers. Compounds 7 (ID50 = 8.25 mu M) were found more active than efavirenz (ID50 = 25 mu M) against the viral RT carrying the K103N mutation, suggesting for these compounds a potential use in efavirenz based anti-AIDS regimens.
• HERSHENSON, F. M.
  作者：HERSHENSON, F. M.

  DOI：——

  日期：——