4-Cyano-3-pyridylacetonitril | 3423-43-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-Cyano-3-pyridylacetonitril
• 英文别名: 4-Cyano-3-Pyridineacetonitrile；3-(cyanomethyl)pyridine-4-carbonitrile
• CAS: 3423-43-6
• 化学式: C₈H₅N₃
• mdl: MFCD00160367
• 分子量: 143.148
• InChiKey: HAPCZADRKGVNHK-UHFFFAOYSA-N

物化性质

• 熔点：
  78.5-79.5 °C
• 沸点：
  315.7±27.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  60.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Cyano-3-pyridylacetonitril 、 sodium ethanolate 以72%的产率得到
  参考文献：
  名称：

  ALHAIQUE F.; RICCIERI F. M.; SANTUCCI E., TETRAHEDRON LETT. , 1975, NO 3, 173-174

  摘要：

  DOI：

文献信息

• Enamine derivatives
  申请人：——

  公开号：US20020037909A1

  公开（公告）日：2002-03-28

  Enamine derivatives of formula (1) are described: 1 wherein R 1 is a group Ar 1 L 2 Ar 2 Alk- in which Ar 1 is an aromatic or heteroaromatic group, L 2 is a covalent bond or a linker atom or group, Ar 2 is an arylene or heteroarylene group and Alk is a chain —CH 2 —CH(R)—, —CH═C(R)— or 2 in which R is a carboxylic acid or a derivative or biostere thereof; R 2 is a hydrogen atom or a C 1-6 alkyl group; Cy is a cycloaliphatic or heterocycloaliphatic ring in which X is a N atom or a C(R w ) group; R x is a oxo, thioxo, or imino group; R w and R z is each a hydrogen atom or optional substituent; provided that Cy is not a cyclobutenedione group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders, or disorders involving the inappropriate growth or migration of cells.

  描述了公式（1）的Enamine衍生物：其中R1是Ar1L2Ar2Alk-中的一个基团，其中Ar1是芳香族或杂环芳基，L2是共价键或连接原子或基团，Ar2是芳基或杂环芳基，Alk是链—CH2—CH（R）—，—CH═C（R）—或其中R是羧酸或其衍生物或生物类似物；R2是氢原子或C1-6烷基基团；Cy是环脂环或杂环脂环，其中X是N原子或C（Rw）基团；Rx是氧化、硫代氧化或亚胺基团；Rw和Rz分别是氢原子或可选取代基；前提是Cy不是环丁二酮基团；以及它们的盐、溶剂合物、水合物和N-氧化物。这些化合物能够抑制整合素与其配体的结合，并可用于预防和治疗免疫或炎症性疾病，或涉及细胞异常生长或迁移的疾病。
• Phenylalanine enamide derivatives
  申请人：——

  公开号：US20020169336A1

  公开（公告）日：2002-11-14

  Phenylalanine enamide derivatives of formula (1) are described: 1 wherein R 1 is a group Ar 1 L 2 Ar 2 Alk- in which: Ar 1 is an optionally substituted aromatic or heteroaromatic group; L 2 is a covalent bond or a linker atom or group; Ar 2 is an optionally substituted arylene or heteroarylene group; and Alk is a chain —CH 2 —CH(R)13 , —CH═C(R)— or 2 in which R is a carboxylic acid (—CO 2 H) or a derivative or biostere thereof; X is an —O— or —S— atom or —N(R 2 )— group in which: R x , R y and R z which may be the same or different is each a hydrogen atom or an optional substituent; or R z is an atom or group as previously defined and R x and R y are joined together to form an optionally substituted spiro linked cycloaliphatic or heterocycloaliphatic group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells.

  描述了公式（1）的苯丙氨酸烯酰胺衍生物：其中R1是Ar1L2Ar2Alk-中的一种基团，其中：Ar1是可选择取代的芳香族或杂环芳基；L2是一个共价键或连接原子或基团；Ar2是可选择取代的芳基或杂芳基；Alk是一个链-CH2-CH(R)13，-CH═C(R)-或2其中R是羧酸（-CO2H）或其衍生物或生物立体异构体；X是一个-O-或-S-原子或-N(R2)-基团，其中：Rx、Ry和Rz可能相同也可能不同，分别是氢原子或可选择取代基；或Rz是如前所定义的原子或基团，Rx和Ry结合在一起形成一个可选择取代的螺环联接的环脂肪族或杂环脂肪族基团；以及它们的盐、溶剂合物、水合物和N-氧化物。这些化合物能够抑制整合素与其配体的结合，并可用于预防和治疗免疫或炎症性疾病或涉及细胞不当生长或迁移的疾病。
• Bicyclic Heteroaromatic Alanines
  申请人：——

  公开号：US20040209913A1

  公开（公告）日：2004-10-21

  Compounds of formula (1) are described: in which X is an —O— or —S— atom or —N(R 2 )— group and R 1 is a group Ar 1 L 2 Ar 2 Alk- in which Ar 1 is an optionally substituted aromatic or heteroaromatic group, L 2 is a covalent bond or a linker atom or group, Ar 2 is an optionally substituted bicyclic heteroarylene group and Alk is a chain —CH 2 —CH(R)—, —CH═C(R)—, OR—CH(CH 2 R)— or which R is a carboxylic acid (—CO 2 H) or a derivative or biostere thereof. The compounds are selective inhibitors of alpha 4 integrins such as &agr; 4 &bgr; 1 and are of use in modulating cell adhesion for the prophylaxis or treatment of inflammatory diseases or disorders, such as rheumatoid arthritis, in which the extravasculation of leukocytes plays a role. 1

  描述了公式（1）的化合物：其中X是- O-或-S-原子或-N（R2）-基团，R1是Ar1L2Ar2Alk-基团，其中Ar1是可选取代的芳香族或杂芳族基团，L2是共价键或连接原子或基团，Ar2是可选取代的双环杂芳基基团，Alk是链-CH2-CH（R）-，-CH═C（R）-，OR-CH（CH2R）-或R是羧酸（-CO2H）或其衍生物或生物立体异构体。这些化合物是α4整合素的选择性抑制剂，例如α4β1，并且可用于调节细胞黏附，用于预防或治疗炎症性疾病或疾病，例如类风湿性关节炎，其中白细胞的越出在其中起作用。
• ENAMINE DERIVATIVES
  申请人：——

  公开号：US20030229116A1

  公开（公告）日：2003-12-11

  Enamine derivatives of formula ( 1 ) are described: 1 wherein R 1 is a group Ar 1 L 2 Ar 2 Alk— in which Ar 1 is an aromatic or heteroaromatic group, L 2 is a covalent bond or a linker atom or group, Ar 2 is an arylene or heteroarylene group and Alk is a chain —CH 2 —CH(R)—, —CH═C(R)— or 2 in which R is a carboxylic acid or a derivative or biostere thereof; R 2 is a hydrogen atom or a C 1-6 alkyl group; Cy is a cycloaliphatic or heterocycloaliphatic ring in which X is a N atom or a C(R w ) group; R x is a oxo, thioxo, or imino group; R w and R z is each a hydrogen atom or optional substituent; provided that Cy is not a cyclobutenedione group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders, or disorders involving the inappropriate growth or migration of cells.

  描述了公式（1）的恩啡衍生物： 其中，R1是Ar1L2Ar2Alk-基团，其中Ar1是芳香族或杂芳族基团，L2是共价键或连接原子或基团，Ar2是芳基或杂芳基团，而Alk是链-CH2-CH（R）-，-CH═C（R）-或2，其中R是羧酸或其衍生物或生物同分异构体；R2是氢原子或C1-6烷基基团；Cy是环状脂肪族或杂环状脂肪族环，其中X是N原子或C（Rw）基团；Rx是氧代、硫代或亚胺基团；而Rw和Rz是氢原子或可选取代基团；但前提是Cy不是环丁二烯二酮基团；以及它们的盐、溶剂化合物、水合物和N-氧化物。 这些化合物能够抑制整合素与其配体的结合，并用于预防和治疗免疫或炎症性疾病，或涉及细胞不适当生长或迁移的疾病。
• Squaric acid derivatives
  申请人：——

  公开号：US20030162799A1

  公开（公告）日：2003-08-28

  Squaric acid Derivatives of formula (1) are described: 1 wherein R 1 is an integrin binding group; R 2 is a hydrogen atom or a C 1-6 alkyl group; L 1 is a covalent bond or a linker atom or group; n is zero or the integer 1; Alk 1 is an optionally substituted aliphatic chain; R 3 is a hydrogen atom or an optionally substituted heteroaliphatic, cycloaliphatic, heterocycloaliphatic, polycycloaliphatic, polyheterocycloaliphatic, aromatic or heteroaromatic group: and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immune of inflammatory disorders, or disorders involving the inappropriate growth or migration of cells.

  本文介绍了公式（1）的苯丙酸衍生物：其中R1是整合素结合基；R2是氢原子或C1-6烷基基团；L1是共价键或连接原子或基团；n为零或整数1；Alk1是可选的取代脂肪链；R3是氢原子或可选的取代杂原子脂肪、环状脂肪、杂环状脂肪、多环状脂肪、多杂环状脂肪、芳香或杂芳基团；以及其盐、溶剂化合物、水合物和N-氧化物。这些化合物能够抑制整合素与其配体的结合，并可用于预防和治疗免疫或炎症性疾病，或涉及细胞不适当生长或迁移的疾病。