α-bromo-3'-methoxycarbonylpropiophenone | 454464-55-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: α-bromo-3'-methoxycarbonylpropiophenone
• 英文别名: rac-3-(2-bromo-propionyl)-benzoic acid methyl ester；2-Bromo-3'-methoxycarbonylpropiophenone；methyl 3-(2-bromo-propionyl)-benzoate；3-(2-bromo-propionyl)-benzoic acid methyl ester；methyl 3-(2-bromopropanoyl)benzoate
• CAS: 454464-55-2
• 化学式: C₁₁H₁₁BrO₃
• 分子量: 271.111
• InChiKey: LVRJAFUTXDBMCM-UHFFFAOYSA-N

物化性质

• 沸点：
  344.7±22.0 °C(Predicted)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  α-bromo-3'-methoxycarbonylpropiophenone 在 氨 、 双氧水 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 48.75h， 生成 3-[3-(3-Chloroanilino)-5-methyl-imidazol-4-yl]benzamide
  参考文献：
  名称：

  N-Aminoimidazole Derivatives Inhibiting Retroviral Replication via a Yet Unidentified Mode of Action

  摘要：

  The synthesis of a series of N-aminoimidazoles (NAIMs) with an uncommon spectrum of antiretroviral activity is described. From a group of 60 closely related molecules, we were able to subdivide the molecules in different groups based on their anti-HIV and anti-SIV activity in vitro (i) molecules acting on a new, immediate postintegration step, (ii) molecules acting on both postintegration and HIV-1 reverse transcriptase (RT) as NNRTI, and (iii) molecules that mainly act at the HIV-1 RT according to an NNRTI-type mode of action.

  DOI：

  10.1021/jm0211117
• 作为产物：
  描述：

  3-溴苯丙酮 在 硫酸 氢氧化钾 、 乙醇 、 溴 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.62h， 生成 α-bromo-3'-methoxycarbonylpropiophenone
  参考文献：
  名称：

  PIPERIDINE-AMIDE DERIVATIVES

  摘要：

  这项发明涉及式（I）中的新型哌啶酰胺衍生物，其中R1、R2、X和Y如描述和权利要求中定义，并且其生理上可接受的盐和酯。这些化合物抑制L-CPT1，可用于治疗与L-CPT1相关的疾病。

  公开号：

  US20080300279A1

文献信息

• Dihydro-benzo [b][1,4]diazepin-2-one derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US06544985B2

  公开（公告）日：2003-04-08

  This invention is a dihydro-benzo[b][1,4]diazepin-2-one derivative of the formula wherein R1, R2, R3, X and Y are as defined in the specification. The invention includes pharmaceutical compositions containing these compounds, a process for their preparation, their use in preparation of pharmaceutical compositions and administration of an effective amount of the compounds for the treatment or prevention of acute and/or chronic neurological disorders to a patient in need of such treatment.

  这项发明是一种具有以下结构的二氢苯并[b][1,4]二氮杂环己酮衍生物的公式 其中R1、R2、R3、X和Y如规范中定义。该发明包括含有这些化合物的药物组合物，其制备方法，它们在制备药物组合物和向需要此类治疗的患者施用有效量的化合物以治疗或预防急性和/或慢性神经系统疾病的用途。
• Dihydro-benzo [b] [1,4] diazepin-2-one derivatives
  申请人：——

  公开号：US20020198197A1

  公开（公告）日：2002-12-26

  This invention is a dihydro-benzo [b] [1,4] diazepin-2-one derivative of the formula 1 wherein R 1 , R 2 , R 3 and Y are as defined in the specification. The invention includes pharmaceutical compositions containing these compounds, a process for their preparation and a method of treatment or prevention of acute and/or chronic neurological disorders by administering an effective amount of the compound of formula I or a pharmaceuticall acceptable salt thereof.

  这项发明是一种二氢苯并[1,4]二氮杂环己-2-酮衍生物，其化学式如下所示：其中R1、R2、R3和Y的定义如规范中所述。该发明包括含有这些化合物的药物组合物，其制备方法以及通过给予化合物I或其药用可接受盐的有效剂量来治疗或预防急性和/或慢性神经系统疾病的方法。
• Hiv inhibiting n-aminoimidazole derivatives
  申请人：——

  公开号：US20040122024A1

  公开（公告）日：2004-06-24

  An N-aminoimidazole or N-aminoimidazolethione derivative, a pharmaceutically acceptable salt, a tautomer, an isomer, an ester or glycosylation product thereof, said derivative being represented by general formula (I): wherein m=zero or 1, n=zero or 1, R 1 is selected from hydrogen, methyl or ethyl, R 2 is selected from hydrogen, SH or —SR 0 wherein R 0 is methyl, benzyl or glucose residue; Q is selected from 1-naphtyl, 2-naphtyl, biphenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl, 2-pyrimidyl, 4-pyrimidyl, 5-pyrimidyl, thienyl, or a substituted or unsubstituted phenyl ring, wherein the substitution is understood as being one or two substituents selected from H, F, Cl, Br, I, methyl, ethyl or isopropyl; L is selected from 1-naphtyl, 2-naphtyl, biphenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl, 2-pyrimidyl, 4-pyrimidyl, 5-pyrimidyl, thienyl, or a substituted or unsubstituted phenyl ring wherein the substitution is understood as being one or two substituents selected from H, F, Cl, Br, I, methyl, ethyl or isopropyl. This invention further relates to the use of compounds of formula (I) as agents having biological activity, especially against viral infections.

  一种N-氨基咪唑或N-氨基咪唑硫醇衍生物，其药学上可接受的盐，互变异构体，异构体，酯或糖基化产物，所述衍生物由通式（I）表示： 其中m=0或1，n=0或1，R1选自氢，甲基或乙基，R2选自氢，SH或-SR0，其中R0为甲基，苄基或葡萄糖残基；Q选自1-萘基，2-萘基，联苯，2-吡啶基，3-吡啶基，4-吡啶基，2-嘧啶基，4-嘧啶基，5-嘧啶基，噻吩基或取代或未取代的苯环，其中取代被理解为是选择H，F，Cl，Br，I，甲基，乙基或异丙基中的一个或两个取代基；L选自1-萘基，2-萘基，联苯，2-吡啶基，3-吡啶基，4-吡啶基，2-嘧啶基，4-嘧啶基，5-嘧啶基，噻吩基或取代或未取代的苯环，其中取代被理解为是选择H，F，Cl，Br，I，甲基，乙基或异丙基中的一个或两个取代基。本发明还涉及将式（I）化合物作为具有生物活性的药物，特别是用于抗病毒感染。
• Dihydro-benzo [B] [1,4] diazepin-2-one derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US06548495B2

  公开（公告）日：2003-04-15

  This invention is a dihydro-benzo[b][1,4]diazepin-2-one derivative of the formula wherein R1, R2, R3 and Y are as defined in the specification. The invention includes pharmaceutical compositions containing these compounds, a process for their preparation and a method of treatment or prevention of acute and/or chronic neurological disorders by administering an effective amount of the compound of formula I or a pharmaceuticall acceptable salt thereof.

  这项发明涉及一种二氢苯并[b][1,4]二氮杂烷-2-酮衍生物，其化学式中的R1、R2、R3和Y如规范中所定义。该发明包括含有这些化合物的药物组合物、其制备方法以及通过给予公式I化合物或其药学上可接受的盐的有效量来治疗或预防急性和/或慢性神经系统疾病的方法。
• PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION
  申请人：NIPPON SHINYAKU COMPANY, LIMITED

  公开号：EP0842923A1

  公开（公告）日：1998-05-20

  The invention relates to a pharmaceutical composition comprising a pyrrole derivative of the following formula [1] or a pharmaceutically acceptable salt thereof, or a solvate of either of them, as an active ingredient. (wherein R1 represents hydrogen or alkoxycarbonylamino, R2 represents alkyl, aryl which may be substituted, aromatic heterocyclyl which may be substituted, unsubstituted amino, monoalkylamino, dialkylamino, or cyclic amino which may be substituted; R3 represents cyano or carbamoyl; R4 represents hydrogen or alkyl; E represents alkylene; q is equal to 0 or 1, A represents methyl, aryl which may be substituted, or aromatic heterocyclyl which may be substituted) The pharmaceutical composition of the invention is effective for the treatment of pollakiuria or urinary incontinence.

  本发明涉及一种药物组合物，其活性成分包括下式[1]的吡咯衍生物或其药学上可接受的盐，或二者之一的溶液。 (其中 R1 代表氢或烷氧羰基氨基，R2 代表烷基、可被取代的芳基、可被取代的芳香杂环基、未取代的氨基、单烷基氨基、二烷基氨基或可被取代的环氨基；R3 代表氰基或氨基甲酰基；R4 代表氢或烷基；E 代表亚烷基；q 等于 0 或 1，A 代表甲基、可被取代的芳基或可被取代的芳香杂环基)。 本发明的药物组合物对治疗花粉尿症或尿失禁有效。