3-氯-吡嗪-4-羧酸 | 1023307-42-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 3-氯-吡嗪-4-羧酸
• 中文别名: 3-氯哒嗪-4-甲酸
• 英文名称: 3-chloro-pyridazine-4-carboxylic acid
• 英文别名: 3-Chloropyridazine-4-carboxylic acid
• CAS: 1023307-42-7
• 化学式: C₅H₃ClN₂O₂
• 分子量: 158.544
• InChiKey: DIIPMDIMBLOAHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氰基-3-氯哒嗪 在 phosphate buffer 、 enzyme complex obtained from Rhodococcus sp. immobilized 、 水 作用下， 反应 72.0h， 以35%的产率得到3-氯-吡嗪-4-羧酸
  参考文献：
  名称：

  Klempier, Norbert; Raadt, Anna de; Griengl, Herfried, Journal of Heterocyclic Chemistry, 1992, vol. 29, # 1, p. 93 - 95

  摘要：

  DOI：

文献信息

• [EN] ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF<br/>[FR] MODULATEURS ALLOSTÉRIQUES DES RÉCEPTEURS NICOTINIQUES DE L'ACÉTYLCHOLINE DE TYPE ALPHA 7, LEURS DÉRIVÉS ET LEURS UTILISATIONS
  申请人：ALPHARMAGEN LLC

  公开号：WO2016144792A1

  公开（公告）日：2016-09-15

  The present application is related to compounds represented by Formula I, which are novel positive allosteric modulators of α7 nAChRs. The application also discloses the treatment of disorders that are responsive to enhancement of acetylcholine action on α7 nAChRs in a mammal by administering an effective amount of a compound of Formula I.

  本申请涉及由式I表示的化合物，这些化合物是α7 nAChRs的新型阳性变构调节剂。该申请还披露了通过给哺乳动物施用式I化合物的有效量来增强乙酰胆碱在α7 nAChRs上的作用以治疗对增强乙酰胆碱作用敏感的疾病。
• NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES
  申请人：Conte Aurelia

  公开号：US20080234277A1

  公开（公告）日：2008-09-25

  The invention is concerned with novel aza-pyridopyrimidinone derivatives of formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , X 1 , X 2 , X 3 , Y, Z, m and n are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds are HM74A agonists and can be used in treating or preventing diseases which are modulated by HM74A agonists.

  这项发明涉及式(I)的新颖的氮杂吡啶嘧啶酮衍生物： 其中R1、R2、R3、R4、R5、X1、X2、X3、Y、Z、m和n如描述和权利要求中所定义，以及其生理上可接受的盐和酯。这些化合物是HM74A激动剂，可用于治疗或预防受HM74A激动剂调节的疾病。
• Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors
  申请人：Turner Sean C.

  公开号：US20090325937A1

  公开（公告）日：2009-12-31

  Disclosed are pyridazine compounds of the formula I which are useful for inhibiting glycogen synthase kinase 3 (GSK-3), methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds: In formula I indicates a single bond or a double bond; X is O, S or N—R 5 ; R 1 , R 2 are independently selected from the group consisting of H, NH 2 , NH—C 1 -C 6 -alkyl, OH, ═O, (i.e. a carbonyl group), C 1 -C 6 -alkoxy, halogen, methyl, C 2 -C 4 -alkyl, C 3 -C 4 -cycloalkyl, C 3 -C 4 -alkenyl, fluorinated C 1 -C 4 -alkyl, fluorinated C 3 -C 4 -cycloalkyl, fluorinated C 3 -C 4 -alkenyl, formyl, C 1 -C 3 -alkylcarbonyl, and an aromatic radical Ar, R 1 and R 2 together with the carbon atoms, to which they are attached, form a fused, saturated or unsaturated 5-, 6- or 7-membered C-bound carbocyclic or heterocyclic ring comprising 1 heteroatom, selected from nitrogen, oxygen and sulfur as ring member and 0, 1 or 2 further heteroatoms, independently selected from O, S and N, as ring members, wherein the fused ring is unsubstituted or may carry 1, 2 or 3 substituents selected, independently of each other, from the group of radicals R 4 as defined below; R 3 is hydrogen OH, halogen, CN, nitro, C 1 -C 6 -alkyl, fluorinated C 1 -C 6 -alkyl, C 1 -C 6 -hydroxyalkyl, C 1 -C 6 -alkoxy-C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, fluorinated C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, C 3 -C 7 -cycloalkyl, fluorinated C 3 -C 7 -cycloalkyl, C 1 -C 6 -alkoxy, C 1 -C 6 -hydroxyalkoxy, C 1 -C 6 -alkoxy-C 1 -C 6 -alkoxy, fluorinated C 1 -C 6 -alkoxy, C 1 -C 6 -alkylthio, fluorinated C 1 -C 6 -alkylthio, C 1 -C 6 -alkylsulfinyl, fluorinated C 1 -C 6 -alkylsulfinyl, C 1 -C 6 -alkylsulfonyl, fluorinated C 1 -C 6 -alkylsulfonyl, C 1 -C 6 -alkylcarbonyl, fluorinated C 1 -C 6 -alkylcarbonyl, C 1 -C 6 -alkylcarbonylamino, fluorinated C 1 -C 6 -alkylcarbonylamino, carboxy, C 1 -C 6 -alkyloxycarbonyl, fluorinated C 1 -C 6 -alkoxycarbonyl, NR a R b , C(O)—NR e R f , NH—C(O)—NR e R f , NR a R b —C 1 -C 6 -alkylene, O—NR a R b , etc. and wherein R 4 and R 5 are as defined in the specification and the claims.

  本发明涉及一种公式I的吡嗪化合物，其用于抑制糖原合成酶激酶3（GSK-3），制备该化合物的方法，包含该化合物的组合物以及使用该化合物的治疗方法： 在公式I中， 表示单键或双键； X是O，S或N—R5； R1，R2独立选择自H，NH2，NH—C1-C6-烷基，OH，═O（即羰基），C1-C6-烷氧基，卤素，甲基，C2-C4-烷基，C3-C4-环烷基，C3-C4-烯基，氟代C1-C4-烷基，氟代C3-C4-环烷基，氟代C3-C4-烯基，甲酰基，C1-C3-烷基羰基和芳基基团，R1和R2与它们附着的碳原子一起形成一个融合的、饱和或不饱和的5、6或7元素C-键环或杂环，其中该融合环未被取代或可带有1、2或3个取代基，其独立选择自下面定义的R4基团； R3是氢、羟基、卤素、氰基、硝基、C1-C6-烷基、氟代C1-C6-烷基、C1-C6-羟基烷基、C1-C6-烷氧基-C1-C6-烷基、C2-C6-烯基、氟代C2-C6-烯基、C2-C6-炔基、C3-C7-环烷基、氟代C3-C7-环烷基、C1-C6-烷氧基、C1-C6-羟基烷氧基、C1-C6-烷氧基-C1-C6-烷氧基、氟代C1-C6-烷氧基、C1-C6-烷基硫基、氟代C1-C6-烷基硫基、C1-C6-烷基亚砜基、氟代C1-C6-烷基亚砜基、C1-C6-烷基磺酰基、氟代C1-C6-烷基磺酰基、C1-C6-烷基羰基、氟代C1-C6-烷基羰基、C1-C6-烷基羰基氨基、氟代C1-C6-烷基羰基氨基、羧基、C1-C6-烷氧羰基、氟代C1-C6-烷氧羰基、NRaRb、C（O）—NReRf、NH—C（O）—NReRf、NRaRb—C1-C6-亚基、O—NRaRb等； 其中R4和R5如规范和要求所定义。
• Aza-pyridopyrimidinone derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US07928106B2

  公开（公告）日：2011-04-19

  The invention is concerned with novel aza-pyridopyrimidinone derivatives of formula (I): wherein R1, R2, R3, R4, R5, X1, X2, X3, Y, Z, m and n are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds are HM74A agonists and can be used in treating or preventing diseases which are modulated by HM74A agonists.

  本发明涉及式(I)的新型氮杂吡啶嘧啶酮衍生物：其中R1、R2、R3、R4、R5、X1、X2、X3、Y、Z、m和n如说明书和权利要求中所定义，以及其生理上可接受的盐和酯。这些化合物是HM74A激动剂，可用于治疗或预防受HM74A激动剂调节的疾病。
• PYRIDAZINE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS
  申请人：Abbott GmbH & Co. KG

  公开号：EP1902055A1

  公开（公告）日：2008-03-26