6-甲氧基烟酸 | 66572-55-2

• 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: 6-甲氧基烟酸
• 中文别名: 2-甲氧基吡啶-5-羧酸；2-甲氧基-5-吡啶羧酸；6-甲氧基吡啶-3-羧酸；2-甲氧基-5-吡啶甲酸
• 英文名称: 6-methoxynicotinic acid
• 英文别名: 6-methoxypyridine-3-carboxylic acid；2-methoxy-5-pyridinecarboxylic acid
• CAS: 66572-55-2
• 化学式: C₇H₇NO₃
• mdl: MFCD04115721
• 分子量: 153.137
• InChiKey: NVDJVEQITUWZDT-UHFFFAOYSA-N

物化性质

• 熔点：
  171.5-172.5 °C(Solv: water (7732-18-5))
• 沸点：
  283.8±20.0 °C(Predicted)
• 密度：
  1.284

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存于室温环境中，并避免光照。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Methoxynicotinic acid
Synonyms: 2-Methoxypyridine-5-carboxylic acid

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 6-Methoxynicotinic acid
CAS number: 66572-55-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H7NO3
Molecular weight: 153.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-甲氧基烟酸 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 16.0h， 生成 (6-甲氧基吡啶-3-基)甲醇
  参考文献：
  名称：

  Synthesis and reduction reactions of pyridones and 5-acyl-2-methoxypyridines

  摘要：

  The synthesis of a series of pyridones, from their 2-hydroxypyridine or 2-methoxypyridine precursors, is described, along with studies into their reductions to saturated heterocycles. A number of 5-acylpyridones were prepared and were evaluated as substrates for asymmetric transfer hydrogenation prior to conversion to saturated heterocycles. The enantioselective reduction of 5-acetyl-1-benzylpyrimidine-2,4(1H,3H)-dione is also described. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.06.046
• 作为产物：
  描述：

  5-羟基烟酸甲酯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 N-甲基乙酰胺 、 氯仿 、 水 、 异丙醇 为溶剂， 生成 6-甲氧基烟酸
  参考文献：
  名称：

  Methods and compounds for inhibiting mrp1

  摘要：

  本发明还涉及一种抑制哺乳动物中MRP1的方法，包括向需要的哺乳动物施用化合物(I)的有效量。

  公开号：

  US20030100576A1

文献信息

• N-(1,8-naphthyridin-2-yl) amides and their pharmaceutical use
  申请人：Rhone-Poulenc Sante

  公开号：US04642308A1

  公开（公告）日：1987-02-10

  The invention provides novel substituted amides of formula: R--CONH--Het in which R is cycloalkyl, cyclohexadienyl, phenyl optionally substituted with one or 2 fluorine atoms or with a hydroxy radical, or substituted at position 3- or 4- with an alkyl or alkyloxy radical, or with a methylenedioxy radical at positions 3- and 4-, or at position 2- or 3- with a dialkylamino radical, or is 3-pyridyl, alkyloxy-3-pyridyl, thienyl, alkylthienyl, furyl, tetrahydropyridyl, pyridazinyl and alkylpyridazinyl, and Het is 2-quinolyl or 1,8-naphthyridin-2-yl, both optionally substituted at position 7- with a halogen atom or a hydroxymethyl, alkyl, alkyloxy, alkyloxyalkyloxy, alkenyloxy or alkynyloxy radical (of 3 or 4 carbon atoms), an alkylthio or benzylthio radical, a phenoxy radical which is optionally substituted (with fluorine, with chlorine or bromine at position 2-, or with an alkyloxy radical or 1 or 2 alkyl radicals) or with pyridyloxy or alkylpiperidyloxy, provided that, when Het is 2-quinolyl, R is other than phenyl, and that the radicals and alkyl portions contain 1 to 4 carbon atoms each in a linear or branched chain. The new products are useful as anxiolytics, hypnotics, anticonvulsants, antiepileptics and muscle relaxants. The invention also provides a process for the preparation of, and pharmaceutical compositions containing, the new compounds.

  该发明提供了一种新型的取代酰胺，化学式为：R--CONH--Het，其中R是环烷基、环己二烯基、苯基（可选择性地取代有一个或两个氟原子或一个羟基基团），或在3-或4-位置取代有烷基或烷氧基基团，或在3-和4-位置取代有亚甲二氧基基团，或在2-或3-位置取代有二烷基氨基基团，或是3-吡啶基、烷氧基-3-吡啶基、噻吩基、烷基噻吩基、呋喃基、四氢吡啶基、吡啶嗪基和烷基吡啶嗪基，Het是2-喹啉基或1,8-萘啉-2-基，两者可选择性地在7-位置取代有卤原子或羟甲基、烷基、烷氧基、烷氧基烷氧基、烯基氧基或炔基氧基基团（含有3或4个碳原子），烷硫基或苄硫基基团，苯氧基基团可选择性地取代（取代有氟、氯或溴在2-位置，或取代有烷氧基或1或2个烷基基团）或取代有吡啶氧基或烷基哌啶氧基，前提是当Het是2-喹啉基时，R不是苯基，且基团和烷基部分每个都含有1到4个碳原子，可以是线性或支链。这些新产品可用作抗焦虑药、催眠药、抗抽搐药、抗癫痫药和肌肉松弛剂。该发明还提供了一种制备这些新化合物的方法和含有这些新化合物的药物组合物。
• [EN] COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS<br/>[FR] AGENTS PHARMACEUTIQUES EN COMBINAISON EN TANT QU'INHIBITEURS DE RSV
  申请人：ENANTA PHARM INC

  公开号：WO2019067864A1

  公开（公告）日：2019-04-04

  The present invention relates to pharmaceutical agents administered to a subject either in combination or in series for the treatment of a Respiratory Syncytial Virus (RSV) infection, wherein treatment comprises administering a compound effective to inhibit the function of the RSV and an additional compound or combinations of compounds having anti-RSV activity.

  本发明涉及用于治疗呼吸道合胞病毒（RSV）感染的药物剂，该药物剂可以单独或连续给予受试者，治疗包括给予一种有效抑制RSV功能的化合物以及具有抗RSV活性的另一种化合物或化合物组合。
• 一种吡咯烷类整合素调节剂及其用途
  申请人：清药同创（北京）药物研发中心有限公司

  公开号：CN113354635B

  公开（公告）日：2023-04-18

  本发明涉及一种式I所示的化合物及其消旋体、立体异构体、互变异构体、同位素标记物、氮氧化物、溶剂化物、多晶型物、代谢产物、酯、前药或其药学上可接受的盐，以及包含其的药物组合物，其制备方法，及其医药用途，所述式I结构如下：
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRAZOLO[1,5-A]PYRIDINE EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018071447A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of the Formula I and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, X1, X2, X3, X4, Ring D, and E have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文件提供了公式I的化合物以及立体异构体和药用可接受的盐或溶剂化物，其中A、B、X1、X2、X3、X4、环D和E具有说明书中给出的含义，它们是RET激酶的抑制剂，可用于治疗和预防可通过RET激酶抑制剂治疗的疾病，包括与RET相关疾病和失调。
• [EN] 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS<br/>[FR] COMPOSÉS 6,7-DIHYDROPYRAZOLO[1,5-A] PYRAZIN-4(5H)-ONE ET LEUR UTILISATION COMME MODULATEURS ALLOSTÉRIQUES NÉGATIFS DES RÉCEPTEURS MGLUR2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2016016395A1

  公开（公告）日：2016-02-04

  The present invention relates to novel 6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one derivatives as negative allosteric modulators (NAMs) of the metabotropic glutamate receptor subtype 2 ("mGluR2"). The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention or treatment of disorders in which the mGluR2 subtype of metabotropic receptors is involved.

  本发明涉及新型的6,7-二氢吡唑[1,5-a]吡嗪-4(5H)-酮衍生物，作为代谢型谷氨酸受体2型("mGluR2")的负变构调节剂(NAMs)。该发明还涉及包含这些化合物的药物组合物，制备这些化合物和组合物的方法，以及使用这些化合物和组合物预防或治疗涉及代谢型受体mGluR2亚型的疾病。