ethyl 3-[(2-cyanophenyl)amino]-7-[4-(methylsulfinyl)phenyl]-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-2-carboxylate | 639479-94-0

• 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: ethyl 3-[(2-cyanophenyl)amino]-7-[4-(methylsulfinyl)phenyl]-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-2-carboxylate
• 英文别名: ethyl 3-(2-cyanoanilino)-7-(4-methylsulfinylphenyl)-6-oxothieno[2,3-b]pyridine-2-carboxylate
• CAS: 639479-94-0
• 化学式: C₂₄H₁₉N₃O₄S₂
• 分子量: 477.565
• InChiKey: RTJPKODFNMRQCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ethyl 3-[(2-cyanophenyl)amino]-7-[4-(methylthio)phenyl]-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-2-carboxylate 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以82%的产率得到ethyl 3-[(2-cyanophenyl)amino]-7-[4-(methylsulfinyl)phenyl]-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-2-carboxylate
  参考文献：
  名称：

  [EN] ARYLAMINE SUBSTUTUTED BICYCLIC HETEROAROMATIC COMPOUNDS AS P38 KINASE INHIBITORS
  [FR] COMPOSES BICYCLIQUES HETEROAROMATIQUES ARYLAMINE SUBSTITUEE UTILISES EN TANT QU'INHIBITEURS DE KINASE P38

  摘要：

  公式（1）描述了具有双环杂芳衍生物：F（1）其中：连接A和C（Ra）的虚线存在且表示键，A是一个-N=原子或一个-C（Rb）=基团，或者虚线不存在且A是一个-N（Rb）-或-C（Rb）（Rc）-基团；X是一个-O-，-S-或取代的氮原子或一个-S（O）-，-S（O2）-或-NH­-基团；Y是一个氮或取代的碳原子或一个-CH=基团；n为零或整数1；Alk1是一个可选择取代的脂肪或杂原脂肪链L1是一个共价键或连接原子或基团；Cy1是一个氢原子或一个可选择取代的环脂肪，多环脂肪，杂环脂肪，多杂环脂肪，芳香或杂芳基团；Ar是一个可选择取代的芳香或杂芳基团；其余取代基在规范中定义。这些化合物是p38激酶的有效和选择性抑制剂，并可用于预防和治疗免疫或炎症性疾病。

  公开号：

  WO2004000846A1

文献信息

• Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors
  申请人：Brookings Christopher Daniel

  公开号：US20060004025A1

  公开（公告）日：2006-01-05

  Bicyclic heteroaromatic derivatives of formula (1) are described: F (1) where: the dashed line joining A and C(R a ) is present and represents a bond and A is a —N═ atom or a —C(R b )═ group, or the dashed line is absent and A is a —N(R b )—, or —C(R b )(R c )—group; X is an —O—, —S— or substituted nitrogen atom or a —S(O)—, —S(O 2 )— or —NH-group; Y is a nitrogen or substituted carbon atom or a —CH═ group; n is zero or the integer 1; Alk 1 is an optionally substituted aliphatic or heteroaliphatic chain L 1 is a covalent bond or a linker atom or group; Cy 1 is a hydrogen atom or an optionally substituted cycloaliphatic, polycycloaliphatic, heterocycloaliphatic, polyheterocycloaliphatic, aromatic or heteroaromatic group; Ar is an optionally substituted aromatic or heteroaromatic group; and the remaining substituents are defined in the specification. The compounds are potent and selective inhibitors of p38 kinase and are of use in the prophylaxis and treatment of immune or inflammatory disorders.

  描述了式（1）的双环杂芳基衍生物：F（1），其中：连接A和C（Ra）的虚线存在且表示化学键，A是- N═原子或- C（Rb）═基团，或虚线不存在，A是- N（Rb）-，或- C（Rb）（Rc）-基团；X是- O-，- S-或取代的氮原子或- S（O）-，- S（O2）-或- NH-基团；Y是氮或取代的碳原子或- CH═基团；n为零或整数1；Alk1是可选的取代的脂肪或杂脂肪链；L1是共价键或连接原子或基团；Cy1是氢原子或可选的取代的环脂肪，多环脂肪，杂环脂肪，多杂环脂肪，芳香或杂芳香基团；Ar是可选的取代的芳香或杂芳香基团；其余取代基在说明书中定义。这些化合物是p38激酶的有效和选择性抑制剂，并可用于预防和治疗免疫或炎症性疾病。
• Bicyclic Heteroaromatic Derivatives
  申请人：Brookings Daniel Christopher

  公开号：US20090042877A1

  公开（公告）日：2009-02-12

  Bicyclic heteroaromatic derivatives of formula (1) are described: F (1) where: the dashed line joining A and C(R a ) is present and represents a bond and A is a —N═ atom or a —C(R b )═ group, or the dashed line is absent and A is a —N(R b )—, or —C(R b )(R c )— group; X is an —O—, —S— or substituted nitrogen atom or a —S(O)—, —S(O 2 )— or —NH-group; Y is a nitrogen or substituted carbon atom or a —CH═ group; n is zero or the integer 1; Alk 1 is an optionally substituted aliphatic or heteroaliphatic chain L 1 is a covalent bond or a linker atom or group; Cy 1 is a hydrogen atom or an optionally substituted cycloaliphatic, polycycloaliphatic, heterocycloaliphatic, polyheterocycloaliphatic, aromatic or heteroaromatic group; Ar is an optionally substituted aromatic or heteroaromatic group; and the remaining substituents are defined in the specification. The compounds are potent and selective inhibitors of p38 kinase and are of use in the prophylaxis and treatment of immune or inflammatory disorders.

  描述了公式（1）的双环杂芳基衍生物：F（1）其中：连接A和C（Ra）的虚线存在并表示键，并且A是- N═原子或- C（Rb）═基团，或者虚线不存在并且A是- N（Rb）-或- C（Rb）（Rc）-基团; X是- O-，- S-或取代的氮原子或- S（O）-，- S（O2）-或- NH-基团; Y是氮或取代的碳原子或- CH═基团; n为零或整数1; Alk1是可选取代的脂肪或杂脂肪链L1是共价键或连接原子或基团; Cy1是氢原子或可选取代的环脂肪，多环脂肪，杂环脂肪，多杂环脂肪，芳香或杂芳香基团; Ar是可选取代的芳香或杂芳香基团; 其余取代基在说明书中定义。这些化合物是p38激酶的有效选择性抑制剂，并可用于预防和治疗免疫或炎症性疾病。
• Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors
  申请人：Celltech R&D Limited

  公开号：US07423047B2

  公开（公告）日：2008-09-09

  Bicyclic heteroaromatic derivatives of formula (1) are described: F (1) where: the dashed line joining A and C(Ra) is present and represents a bond and A is a —N═ atom or a —C(Rb)═ group, or the dashed line is absent and A is a —N(Rb)—, or —C(Rb)(Rc)— group; X is an —O—, —S— or substituted nitrogen atom or a —S(O)—, —S(O2)— or —NH-group; Y is a nitrogen or substituted carbon atom or a —CH═ group; n is zero or the integer 1; Alk1 is an optionally substituted aliphatic or heteroaliphatic chain L1 is a covalent bond or a linker atom or group; Cy1 is a hydrogen atom or an optionally substituted cycloaliphatic, polycycloaliphatic, heterocycloaliphatic, polyheterocycloaliphatic, aromatic or heteroaromatic group; Ar is an optionally substituted aromatic or heteroaromatic group; and the remaining substituents are defined in the specification. The compounds are potent and selective inhibitors of p38 kinase and are of use in the prophylaxis and treatment of immune or inflammatory disorders.

  描述了公式（1）的双环杂芳基衍生物：F（1），其中：连接A和C（Ra）的虚线存在并表示键，A是—N═原子或—C（Rb）═基团，或虚线不存在且A是—N（Rb）—或—C（Rb）（Rc）—基团；X是—O—、—S—或取代的氮原子或—S（O）—、—S（O2）—或—NH—基团；Y是氮或取代的碳原子或—CH═基团；n为零或整数1；Alk1是可选取代的脂肪或杂脂肪链；L1是共价键或连接原子或基团；Cy1是氢原子或可选取代的环脂肪、多环脂肪、杂环脂肪、多杂环脂肪、芳香或杂芳香基团；Ar是可选取代的芳香或杂芳香基团；其余取代基在规范中定义。这些化合物是p38激酶的有效选择性抑制剂，可用于预防和治疗免疫或炎症性疾病。
• ELECTROLUMINESCENT HOST MATERIAL
  申请人：Eastman Kodak Company

  公开号：EP1981950B1

  公开（公告）日：2010-01-27
• US7423047B2
  申请人：——

  公开号：US7423047B2

  公开（公告）日：2008-09-09