5-氯烟酰氯 | 85320-79-2

• 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: 5-氯烟酰氯
• 中文别名: 2-溴烟酰氯
• 英文名称: 5-chloropyridine-3-carbonyl chloride
• 英文别名: 5-chloronicotinoyl chloride；5-Chlor-nicotinoylchlorid
• CAS: 85320-79-2
• 化学式: C₆H₃Cl₂NO
• 分子量: 176.002
• InChiKey: BMKOWBGBYPYXET-UHFFFAOYSA-N

物化性质

• 沸点：
  234.1±20.0 °C(Predicted)
• 密度：
  1.454±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 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：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  5-氯烟酰氯 在 Pd-BaSO₄ 、 xylene 作用下， 生成 5-氯吡啶-3-甲醛
  参考文献：
  名称：

  Graf, Journal fur praktische Chemie (Leipzig 1954), 1933, vol. <2> 138, p. 244,257

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氯烟酸 在 五氯化磷 、 三氯氧磷 作用下， 生成 5-氯烟酰氯
  参考文献：
  名称：

  Inactivation of O⁶-Alkylguanine-DNA Alkyltransferase. 1. Novel O⁶-(Hetarylmethyl)guanines Having Basic Rings in the Side Chain

  摘要：

  A number of novel guanine derivatives containing heterocyclic moieties at the O-6-position have been synthesized using a purine quaternary salt which reacts with alkoxides under mild conditions. Initially O-6-substituents were investigated in which the benzene ring of the known agent, O-6-benzylguanine, was replaced by unsubstituted heterocyclic rings. The ability of these agents to inactivate the DNA repair protein O-6-alkylguanine-DNA alkyltransferase (ATase), both as pure recombinant protein and in the human lymphoblastoid cell line Raji, has been compared with that of O-6-benzylguanine. The present paper focuses on O-6-substituents with basic rings, and under standard conditions several of them proved more effective than benzyl for inactivation of both recombinant and Raji ATase. Among the pyridine derivatives, the 2-picolyl compound 7 is not very active in contrast to the 3- and 4-picolyl compounds, and this influenced our choice of isomers of other basic ring systems for study. Since halogen substitution in the thiophene ring considerably increased the activity (17 versus 6), similar modifications in the pyridine series were examined. The more polar O-6-substituents in this study are on the whole compatible with the stereochemical requirements of the ATase protein, and their pharmacological properties may be valuable in subsequent in vivo investigations, particularly the thenyl (6), 5-thiazolylmethyl (12), 5-bromothenyl (17), and 2-chloro-4-picolyl (21) derivatives.

  DOI：

  10.1021/jm9708644

文献信息

• Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists
  申请人：——

  公开号：US20030055085A1

  公开（公告）日：2003-03-20

  The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.

  本发明提供了作为代谢型谷氨酸受体拮抗剂的化合物和药物组合物，用于治疗神经系统疾病和障碍。还公开了制备这些化合物的方法。
• [EN] PYRROLIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRROLIDINE
  申请人：HUA MEDICINE (SHANGHAI) LTD

  公开号：WO2017071536A1

  公开（公告）日：2017-05-04

  Provided herein are compounds of the formula (I), as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment or prevention of mGluR5 mediated disorders, such as acute and/or chronic neurological disorders, cognitive disorders and memory deficits, as well as acute and chronic pain.

  本文提供了式（I）的化合物，以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗或预防mGluR5介导的疾病，如急性和/或慢性神经系统疾病、认知障碍和记忆缺陷，以及急性和慢性疼痛，具有用处。
• 酰胺化合物及其衍生物，制备方法、药物组合物和应用
  申请人：中国药科大学

  公开号：CN113061098B

  公开（公告）日：2022-08-30

  本发明公开了一类酰胺化合物及其衍生物，制备方法、药物组合物和应用。该类酰胺化合物结构如式(I)，该类酰胺化合物衍生物涉及所述酰胺化合物的立体异构体、互变异构体、代谢产物、代谢前体、前药、溶剂化物、溶剂化物的盐、结晶、药学上可接受的盐或它们的混合物。该类酰胺化合物及其衍生物对吲哚胺2,3‑双加氧酶1具有高效的抑制作用，可用于制备治疗吲哚胺2,3‑双加氧酶1介导的免疫抑制相关疾病的药物，所制备药物在分子水平即可发挥药效，应用广泛，并且该类化合物合成方法简便，易操作。
• [EN] HETEROCYCLIC MODULATORS OF TGR5<br/>[FR] MODULATEURS HÉTÉROCYCLIQUES DE TGR5
  申请人：KALYPSYS INC

  公开号：WO2009026241A1

  公开（公告）日：2009-02-26

  Disclosed herein are new heterocyclic compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of modulation of TGR5 activity in a human or animal subject are also provided for the treatment diseases mediated by TGR5.

  本文披露了新的杂环化合物和组合物，以及它们作为药物治疗疾病的应用。还提供了调节人类或动物主体中TGR5活性的方法，用于治疗由TGR5介导的疾病。
• 吲哚啉化合物及其衍生物、制备方法、药物组合物和应用
  申请人：中国药科大学

  公开号：CN114213310A

  公开（公告）日：2022-03-22

  本发明公开了一类吲哚啉化合物及其衍生物、制备方法、药物组合物和应用。该类吲哚啉化合物结构如式(I)，其衍生物涉及所述吲哚啉化合物的立体异构体、互变异构体、代谢产物、代谢前体、前药、溶剂化物、溶剂化物的盐、结晶、药学上可接受的盐或它们的混合物。该类吲哚啉化合物及其衍生物对吲哚胺2,3‑双加氧酶1的活性具有显著的抑制作用，可用于制备治疗吲哚胺2,3‑双加氧酶1介导的免疫抑制相关疾病的药物，通过激活宿主免疫应答发挥抗肿瘤活性。