2,6-二氯-3-氨基异烟酸甲酯 | 458543-81-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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
• 中文名称: 2,6-二氯-3-氨基异烟酸甲酯
• 中文别名: 3-氨基-2,6-二氯吡啶-4-羧酸甲酯；3-氨基-4-吡啶羧酸乙酯
• 英文名称: ethyl 3-amino-2,6-dichloroisonicotinate
• 英文别名: ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
• CAS: 458543-81-2
• 化学式: C₈H₈Cl₂N₂O₂
• 分子量: 235.07
• InChiKey: ZBHSEGWPJCOBKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  65.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为产物：
  描述：

  3-氨基吡啶-4-羧酸乙酯 在 盐酸 、 双氧水 作用下， 以 水 为溶剂， 反应 1.0h， 以36%的产率得到ethyl 3-amino-2-chloroisonicotinate
  参考文献：
  名称：

  [EN] TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS
  [FR] COMPOSÉS HÉTÉROARYLE TRICYCLIQUES UTILES EN TANT QU'INHIBITEURS D'IRAK4

  摘要：

  披露了公式(I)的化合物或其盐或前药，其中：X1和X2独立地为C或N，条件是X1和X2中零个或一个是N；环A由以下结构表示：或；以及Q、R1、R2、R3、R4、R6和p在此定义。还披露了使用此类化合物作为IRAK4调节剂的方法，以及包含此类化合物的药物组合物。这些化合物可用于治疗、预防或减缓炎性和自身免疫疾病，或用于癌症治疗。

  公开号：

  WO2021011724A1

文献信息

• Heterocyclic diamide invertebrate pest control agents
  申请人：——

  公开号：US20040102324A1

  公开（公告）日：2004-05-27

  This invention provides compounds of Formula (I), N-oxides and suitable salts thereof, wherein A and B are independently O or S; each J is independently a phenyl ring, a naphthyl ring system, a 5- or 6-membered heteroaromatic ring or an aromatic 8-, 9- or 10-membered fused heterobicyclic ring system wherein each ring or ring system is optionally substituted with 1 to 4 R 5 ; K is, together with the two contiguous linking carbon atoms, a 5- or 6-membered heteroaromatic ring optionally substituted with 1 to 3 R 4 ; and R 1 , R 2 , R 3 , R 4 , R 5 and n are as defined in the disclosure. Also disclosed are methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound of Formula (I), an N-oxide thereof or a suitable salt of the compound (e.g., as a composition described herein). This invention also pertains to a composition for controlling an invertebrate pest comprising a biologically effective amount of a compound of Formula (I), an N-oxide thereof or a suitable salt of the compound and at least one additional component selected from the group consisting of surfactants, solid diluents and liquid diluents. 1

  本发明提供了式（I）的化合物、N-氧化物及其适当的盐，其中A和B分别为O或S;每个J分别为苯环、萘环系统、5-或6-成员杂环芳香环或芳香8、9或10-成员融合杂双环系统，其中每个环或环系统可选地被1到4个R5取代；K与两个相邻的连接碳原子一起，是一个5-或6-成员杂环芳香环，可选地被1到3个R4取代；以及R1、R2、R3、R4、R5和n如本公开说明中所定义的。还公开了用式（I）的化合物、其N-氧化物或化合物的适当盐（例如，如本文所述的组成物）的生物有效量接触无脊椎动物害虫或其环境的方法。本发明还涉及一种用于控制无脊椎动物害虫的组合物，包括式（I）的化合物、其N-氧化物或化合物的适当盐的生物有效量，以及至少一种来自表面活性剂、固体稀释剂和液体稀释剂的组分。
• HETEROCYCLIC DIAMIDE INVERTEBRATE PEST CONTROL AGENTS
  申请人：E. I. du Pont de Nemours and Company

  公开号：EP1373210A1

  公开（公告）日：2004-01-02
• US7560564B2
  申请人：——

  公开号：US7560564B2

  公开（公告）日：2009-07-14
• [EN] HETEROCYCLIC DIAMIDE INVERTEBRATE PEST CONTROL AGENTS<br/>[FR] AGENTS HETEROCYCLIQUES DIAMIDE DE LUTTE CONTRE DES PARASITES INVERTEBRES
  申请人：DU PONT

  公开号：WO2002070483A1

  公开（公告）日：2002-09-12

  This invention provides compounds of Formula (I), N-oxides and suitable salts thereof, wherein A and B are independently O or S; each J is independently a phenyl ring, a naphthyl ring system, a 5- or 6-membered heteroaromatic ring or an aromatic 8-, 9- or 10-membered fused heterobicyclic ring system wherein each ring or ring system is optionally substituted with 1 to 4 R5; K is, together with the two contiguous linking carbon atoms, a 5- or 6-membered heteroaromatic ring optionally substituted with 1 to 3 R?4; and R1 R2, R3, R4, R5¿ and n are as defined in the disclosure. Also disclosed are methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound of Formula (I), an N-oxide thereof or a suitable salt of the compound (e.g., as a composition described herein). This invention also pertains to a composition for controlling an invertebrate pest comprising a biologically effective amount of a compound of Formula (I), an N-oxide thereof or a suitable salt of the compound and at least one additional component selected from the group consisting of surfactants, solid diluents and liquid diluents.
• [EN] TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROARYLE TRICYCLIQUES UTILES EN TANT QU'INHIBITEURS D'IRAK4
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2021011724A1

  公开（公告）日：2021-01-21

  Disclosed are compounds of Formula (I) or a salt or prodrug thereof, wherein: X1 and X2 are independently C or N, provided that zero or one of X1 and X2 is N; Ring A represented by the structure is: or; and Q, R1, R2, R3, R4, R6, and p are define herein. Also disclosed are methods of using such compounds as modulators of IRAK4, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing inflammatory and autoimmune diseases, or in the treatment of cancer.

  披露了公式(I)的化合物或其盐或前药，其中：X1和X2独立地为C或N，条件是X1和X2中零个或一个是N；环A由以下结构表示：或；以及Q、R1、R2、R3、R4、R6和p在此定义。还披露了使用此类化合物作为IRAK4调节剂的方法，以及包含此类化合物的药物组合物。这些化合物可用于治疗、预防或减缓炎性和自身免疫疾病，或用于癌症治疗。