(pyridin-2-ylsulfanyl)-acetic acid methyl ester | 114086-04-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (pyridin-2-ylsulfanyl)-acetic acid methyl ester
• 英文别名: Methyl 2-pyridin-2-ylsulfanylacetate
• CAS: 114086-04-3
• 化学式: C₈H₉NO₂S
• mdl: MFCD01197947
• 分子量: 183.231
• InChiKey: WQJTXIQQCPXCID-UHFFFAOYSA-N

物化性质

• 沸点：
  283.7±20.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 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：
  64.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (pyridin-2-ylsulfanyl)-acetic acid methyl ester 在 甲醇 、 sodium hydroxide 、 水 作用下， 反应 0.75h， 以95%的产率得到(吡啶-2-基磺酰基)乙酸
  参考文献：
  名称：

  WO2006/138350

  摘要：

  公开号：
• 作为产物：
  描述：

  2-巯基吡啶 、 溴乙酸甲酯 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以94%的产率得到(pyridin-2-ylsulfanyl)-acetic acid methyl ester
  参考文献：
  名称：

  WO2006/138350

  摘要：

  公开号：

文献信息

• Chemokine receptor binding compounds
  申请人：Zhou Yuanxi

  公开号：US20090099205A1

  公开（公告）日：2009-04-16

  The present invention relates to chemokine receptor binding compounds, pharmaceutical compositions and their use. More specifically, the present invention relates to modulators of chemokine receptor activity, preferably modulators of CCR5. These compounds demonstrate protective effects against infection of target cells by a human immunodeficiency virus (HIV).

  本发明涉及化学因子受体结合化合物、制药组合物及其使用。更具体地，本发明涉及化学因子受体活性调节剂，优选为CCR5的调节剂。这些化合物表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护作用。
• CHEMOKINE RECEPTOR BINDING COMPOUNDS
  申请人：ZHOU Yuanxi

  公开号：US20100298366A1

  公开（公告）日：2010-11-25

  The present invention relates to chemokine receptor binding compounds, pharmaceutical compositions and their use. More specifically, the present invention relates to modulators of chemokine receptor activity, preferably modulators of CCR5. These compounds demonstrate protective effects against infection of target cells by a human immunodeficiency virus (HIV).

  本发明涉及化学因子受体结合化合物、制药组合物及其使用。更具体地，本发明涉及化学因子受体活性调节剂，优选为CCR5的调节剂。这些化合物表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护效果。
• Multidonor Ligands. 3. Cyclopalladation of py{SCH₂C(O)R}-2 (py-2 = 2-pyridyl, R = Ph, Me, OMe) through a C(sp³)−H Bond Activation
  作者：José Vicente、María-Teresa Chicote、Concepción Rubio、M. Carmen Ramírez de Arellano、Peter G. Jones

  DOI：10.1021/om981043f

  日期：1999.7.1

  [PdCl2(NCPh)(2)] reacts with R-carbonylmethylenethiopyridines [pySCH2C(O)R}-2] to give, depending on the substituent R and the reaction conditions, [PdpySCHC(O)Ph}-2}(mu-Cl)(2)Pd-pySCH2C(O)Ph}-2}Cl] or the coordination complexes [PdpySCH2C(O)R}-2}(2)Cl-2] (R = Ph, Me, OMe). The latter can be doubly deprotonated by a base (Na2CO3 or NaH) to give dicyclometalated complexes cis-[PdpySCHC(O)R}-2}(2)]. These transmetalate one ligand to [PdCl2(NCPh)(2)] to give [Pdpy(SCHC(O)R}-2}(mu-Cl)](2), which in turn reacts with (Me4N)Cl or with monodentate ligands L or with MeCN in the presence of AgClO4 to give anionic Me4N[PdpySCHC(O)Ph}-2}Cl-2], neutral [Pdpy(SCHC(O)R}-2}Cl(L)] [R = Ph, L = PPh3, pySCH2C(O)Ph}-2, (BuNC)-Bu-t, NH2CH(Me)Ph, pyridine (py), tetrahydrothiophene (tht); R= Me, L = PPh3, py, tht], or cationic [PdpySCHC(O)R}-2}(NCMe)(2)]ClO4 (R = Ph, Me, OMe) complexes, respectively. The latter react with PPh3 or with bidentate ligands to give complexes [PdpySCHC(O)Ph}-2}(NCMe)(PPh3)]ClO4 or [Pd(pySCHC(O)Ph}-2}L-2]ClO4 [L = PPh3, L-2 = N,N,N',N'-tetramethylethylenediamine (tmeda) or 2,2'-bipyridine (bipy)]. The crystal structures of [PdpySCHC(O)R}-2}(2)] and [PdpySCHC(O)R}-2}ClpySCH2C(O)R}2}] have been determined.
• Multidonor Ligands. 2.¹ Room-Temperature C(sp³)−H Activation of 2-(Alkylthio)pyridine by Gold(III) Complexes
  作者：José Vicente、María Teresa Chicote、María Isabel Lozano、Sonia Huertas

  DOI：10.1021/om980747m

  日期：1999.2.1

  Na[AuCl4] reacts with [pySCH2C(O)R}-2] (py-2 = 2-pyridyl) at room temperature to give cyclometalated alkylgold(III) complexes [AuCl2pySCHC(O)R}-2}] [R = Ph (1a); Me (1b), OMe (1b)], which in turn react with NaBr or with PR'(3) in the presence of NaClO4 to give [AuBr2pySCHC(O)R}-2}] [R = Ph (2a), Me (2b)] or a mixture of SP4-3- and SP4-4-[AuCl-pySCHC(O)R}-2}(PPh3)]ClO4 [R = Ph (3a), Me (3b)]. This mixture of isomers converted to the isomer SP4-4 upon refluxing in chloroform. When the last reaction was made using P(C6H4OMe-4)(3), the main products were [AuClP(C6H4OMe-4)(3)}] and [HpySCH2C(O)Ph}2]ClO4. The crystal structure of the latter has been determined.
• EP1942890A4
  申请人：——

  公开号：EP1942890A4

  公开（公告）日：2009-08-26