5-carbethoxythiophene-2-carbonyl chloride | 156910-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-carbethoxythiophene-2-carbonyl chloride
• 英文别名: 5-chlorocarbonyl-thiophene-2-carboxylic acid ethyl ester；5-Chlorcarbonyl-thiophen-2-carbonsaeure-aethylester；5-Carboethoxythiophen-2-carbonyl chloride；ethyl 5-carbonochloridoylthiophene-2-carboxylate
• CAS: 156910-44-0
• 化学式: C₈H₇ClO₃S
• 分子量: 218.661
• InChiKey: SPFIBYYYWKEEID-UHFFFAOYSA-N

物化性质

• 沸点：
  322.6±27.0 °C(Predicted)
• 密度：
  1.369±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-carbethoxythiophene-2-carbonyl chloride 在 甲醇 、 苯 作用下， 生成 5-(3-acetoxomercurio-2-methoxy-propylcarbamoyl)-thiophene-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Foye et al., Journal of the American Pharmaceutical Association (1912), 1952, vol. 41, p. 273,275

  摘要：

  DOI：
• 作为产物：
  描述：

  2,5-噻吩二羧酸乙酯 在 氯化亚砜 作用下， 生成 5-carbethoxythiophene-2-carbonyl chloride
  参考文献：
  名称：

  Foye et al., Journal of the American Pharmaceutical Association (1912), 1952, vol. 41, p. 273,275

  摘要：

  DOI：

文献信息

• Bridged bicyclic aromatic compounds and their use in modulating gene
  申请人：SRI International

  公开号：US05466861A1

  公开（公告）日：1995-11-14

  Bridged bicyclic aromatic compounds are provided having the structure ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5 and n are as defined herein. The novel compounds are useful for modulating gene expression of retinoic acid receptors, vitamin D receptors and thyroid receptors. Pharmaceutical compositions and methods for modulating gene expression are provided as well.

  提供具有以下结构的桥接双环芳香化合物：##STR1##其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5和n的定义如本文所述。这些新颖化合物可用于调节视黄酸受体、维生素D受体和甲状腺受体的基因表达。同时还提供了用于调节基因表达的药物组合物和方法。
• 4-Mercaptopyrrolidine derivatives as farnesyl transferase inhibitors
  申请人：Zeneca Limited

  公开号：US06232338B1

  公开（公告）日：2001-05-15

  Pharmaceutical compositions comprising an inhibitor of ras farnesylation of formula (I) wherein, R1 is for example H and further values as defined in the specification; R2 is for example H and further values as defined in the specification; R3 is for example H or a substituent having values as defined in the specification; p is 0-3 in which R3 values can be the same or different; L is a linking moiety for example —CO—NH2— and further values as defined in the specification; A is selected from phenyl; naphthyl; a 5-10 membered monocyclic or bicyclic heteroaryl ring containing up to 5 heteroatoms where the heteroatoms are independently selected from O, N and S; or a —S—S— dimer thereof when R2=H; or an enantiomer, diastereoisomer, pharmaceutically acceptable salt, prodrug or solvate thereof together with a pharmaceutically acceptable diluent or carrier. A particular use is cancer therapy.

  含有式(I)的ras法尼酰化抑制剂的药物组合物，其中，R1例如为H，且进一步定义如说明书中所述的其他值；R2例如为H，且进一步定义如说明书中所述的其他值；R3例如为H或具有如说明书中所述的值的取代基；p为0-3，其中R3的值可以相同或不同；L为连接基，例如—CO—NH2—，且进一步定义如说明书中所述的其他值；A选择自苯基、萘基、含有最多5个杂原子的5-10环单环或双环杂芳基环，其中杂原子独立选择自O、N和S；或其二聚体—S—S—，当R2=H时；或其对映异构体、药物可接受盐、前药或溶剂，以及药学可接受的稀释剂或载体。特定用途是癌症治疗。
• Conformational Effects on Retinoid Receptor Selectivity. 2. Effects of Retinoid Bridging Group on Retinoid X Receptor Activity and Selectivity
  作者：Marcia I. Dawson、Ling Jong、Peter D. Hobbs、James F. Cameron、Wan-ru Chao、Michaela Pfahl、Mi-Ock Lee、Braham Shroot、Magnus Pfahl

  DOI：10.1021/jm00017a021

  日期：1995.8

  The natural retinoid 9-cis-retinoic acid is an activating ligand for both the retinoic acid receptors (RARs) and the retinoid X receptors (RXRs), which are members of the retinoid/thyroid hormone/steroid hormone family of nuclear receptor proteins that activate gene transcription through specific response elements. The pharmacophoric groups necessary to confer RXR selectivity were established by evaluating the ability of 21 conformationally restricted retinoids to activate, the TREpal retinoic acid receptor response element for gene transcription in the presence of one of the three RAR subtypes or RXR alpha. In contrast to those retinoids selective for the RARs, these RXR-selective retinoids have one less atom in the bridge linking the hydrophobic and carboxylic acid termini of the retinoid skeleton. Therefore, a one-carbon bridge replaces the 19-methyl group and SE-double bond of S-cis-retinoic acid and is further functionalized by inclusion in an isopropylidene group, a dioxolane ring, or a cyclopropane ring for optimal RXR alpha activity and selectivity. In addition, the beta-geranylidene and 20-methyl-(11E,13E)-dienoic acid groups of g-cis-retinoic acid are replaced by a 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2 naphthalenyl ring and a 4-carboxylphenyl ring, respectively, for optimal activation and selectivity. RXR alpha; selectivity is reduced on replacement of the 4-carboxylphenyl group by a 2-carboxyl-5-thienyl group or the S-cis-retinoic acid methylpentadienoic acid terminus.
• RXR HOMODIMER FORMATION AND BRIDGED BICYCLIC AROMATIC COMPOUNDS AND THEIR USE IN MODULATING GENE EXPRESSION
  申请人：LA JOLLA CANCER RESEARCH FOUNDATION

  公开号：EP0671005A1

  公开（公告）日：1995-09-13
• US5466861A
  申请人：——

  公开号：US5466861A

  公开（公告）日：1995-11-14