4-甲氨基-3-硝基吡啶 | 1633-41-6

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 4-甲氨基-3-硝基吡啶
• 中文别名: 4-(甲基氨基)-3-硝基吡啶
• 英文名称: 3-nitro-4-methylaminopyridine
• 英文别名: N-methyl-3-nitropyridin-4-amine；4-(N-methylamino)-3-nitropyridine；methyl-(3-nitropyridin-4-yl)-amine；4-methylamino-3-nitropyridine
• CAS: 1633-41-6
• 化学式: C₆H₇N₃O₂
• mdl: MFCD00971952
• 分子量: 153.14
• InChiKey: JFOMNWVBOHVZGU-UHFFFAOYSA-N

物化性质

• 熔点：
  163 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  299.5±25.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  70.7
• 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：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Methylamino)-3-nitropyridine
Synonyms:

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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: 4-(Methylamino)-3-nitropyridine
CAS number: 1633-41-6

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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, refrigerated.
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: C6H7N3O2
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：

  4-甲氨基-3-硝基吡啶 在 氯酸溶液 、 tin(ll) chloride 作用下， 以 水 为溶剂， 反应 3.0h， 以95%的产率得到2-氯-N4-甲基嘧啶-3,4-二胺
  参考文献：
  名称：

  [EN] PHARMACOLOGICALLY ACTIVE IMIDAZO[4,5-C]PYRIDINES
  [FR] IMIDAZO[4,5-C]PYRIDINES A ACTIVITE PHARMACOLOGIQUE

  摘要：

  这项发明涉及式1中的6-取代咪唑并[4,5-c]吡啶，其中X为O（氧）或NH，Y具有含义-CH2-AR或Y表示该组gp（gp），其中Z具有含义-CHR8-或-CHR8-CHR9-。这些化合物具有抑制胃酸分泌和优异的胃肠保护作用特性。

  公开号：

  WO2005026164A1
• 作为产物：
  描述：

  N-methyl-N-(4-pyridyl)-nitramine 在 硫酸 作用下， 反应 24.0h， 以58%的产率得到4-甲氨基-3-硝基吡啶
  参考文献：
  名称：

  N-甲基-N-(4-吡啶基)-硝胺和1,4-二氢-1-甲基-4-硝基吡啶的结构和性质

  摘要：

  摘要 通过X射线衍射研究了N-甲基-N-(4-吡啶基)-硝胺(1)和1,4-二氢-1-甲基-4-硝基吡啶(3)的分子结构和光谱性质， FTIR、核磁共振 (NMR) 方法和 DFT 理论计算。N-甲基-N-(4-吡啶基)-硝胺(1)在正交Pbca空间群中结晶。它由两个平面碎片组成；硝基氨基 (N 2 O 2 ) 基团和吡啶环。这两个基团沿 Ar-N 键相互扭曲约 70°。相反，在化合物3中，它们彼此共面。1 中硝基氨基相对于吡啶环的扭曲导致 C-N 键长度显着增加。0.07 A 与硝胺 3 中的类似键相比。真正的硝胺，如 1 ，在 1252-1276 和 1488-1563 cm -1 区域的红外光谱中给出了强带。在亚胺 3 的光谱中，N-硝基基团的特征频率出现在 1245-1255 和 1420-1450 cm -1 处。3 的质子和碳 NMR 光谱表明，由于沿 CN 键快速旋转，环的邻位在液态下是磁等效的，CN

  DOI：

  10.1016/s0022-2860(01)00757-8
• 作为试剂：
  描述：

  4-氯-3-硝基吡啶 、 甲胺 在 乙醇 、 水 、 4-甲氨基-3-硝基吡啶 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 4-甲氨基-3-硝基吡啶
  参考文献：
  名称：

  Derivatives of triazoly-imidazopyridine useful as ligands of the adenosine A2a receptor and their use as medicaments

  摘要：

  化合物的式子为(I)，其中：X为CH或CH—R2; R1为C1-C6的线性或支链烷基或C1-C6的线性或支链烯基；R2为氢，C1-C6的线性或支链烷基或C1-C6的线性或支链烯基，C6-C14芳基或C6-C14芳基(C1-C6)线性或支链烷基或C6-C14芳基(C1-C6)线性或支链烯基，其中芳基基团可选地由一个或多个取代基取代，所述取代基相同或不同，选自卤素、羟基、C1-C6的线性或支链烷氧基或C1-C6的线性或支链烯氧基、氨基，可选择单取代或双取代于C1-C6的线性或支链烷基；R3为NH2或NHR4；R4为C1-C6烷基或C1-C6羟基烷基、C1-C3烷氧基烷基、氨基(C1-C6)烷基，其中氨基可选地被一或两个C1-C3线性或支链烷基取代，或被一或两个C2-C3烯基取代，C6-C14芳基或C6-C14芳基(C1-C6)烷基，其中芳基基团可选地由一个或多个取代基取代，所述取代基相同或不同，选自卤素、羟基、C1-C6的线性或支链烷氧基或C1-C6的线性或支链烯氧基、氨基，可选择单取代或双取代于C1-C6的线性或支链烷基或C1-C6的线性或支链烯基；以及它们的药学上可接受的盐。这些化合物是腺苷A2a受体拮抗剂，特别适用于帕金森病的治疗药物。

  公开号：

  US07528252B2

文献信息

• A novel preparation of thiazolo[5,4-<i>c</i>]pyridines and the synthesis of some imidazo[4,5-<i>c</i>]pyridines and oxazolo[4,5-<i>c</i>]pyridines
  作者：Allen S. Katner、Raymond F. Brown

  DOI：10.1002/jhet.5570270316

  日期：1990.3

  Diethoxymethyl acetate was used to cyclize o-disubstituted aminopyridines to oxazolo[4,5-c]pyridines and imidazo[4,5-c]pyridines. All the possible imidazole-methylated imidazo[4,5-c]pyridines were prepared. A novel synthesis of 2-substituted thiazolo[5,4-c]pyridines and 4-amino-3-pyridinethiol was discovered.

  用二乙氧基乙酸甲酯将邻-二取代的氨基吡啶环化为恶唑并[4，5- c ]吡啶和咪唑并[4，5- c ]吡啶。制备了所有可能的咪唑甲基化的咪唑并[4，5- c ]吡啶。发现了2-取代的噻唑并[5，4- c ]吡啶和4-氨基-3-吡啶硫醇的新型合成方法。
• SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES
  申请人：Pouzet Pascale

  公开号：US20110021501A1

  公开（公告）日：2011-01-27

  The invention relates to new piperidino-dihydrothienopyrimidines of formula 1, as well as pharmacologically acceptable salts thereof, wherein X is SO or SO 2 , but preferably SO, and wherein R 1 , R 2 , R 3 and R 4 may have the meanings given in claim 1 , as well as pharmaceutical compositions which contain these compounds. These new piperidino-dihydrothienopyrimidines are suitable for the treatment of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin or eyes, diseases of the peripheral or central nervous system or cancers.

  本发明涉及通式1的新哌啶二氢噻吩并嘧啶类化合物及其药理上可接受的盐，其中X为SO或SO2，优选SO，并且其中R1、R2、R3和R4可具有权利要求1中所述的含义，以及含有这些化合物的药物组合物。这些新哌啶二氢噻吩并嘧啶类化合物适用于治疗呼吸系统或胃肠道疾病、关节、皮肤或眼睛的炎症性疾病、周围或中枢神经系统疾病或癌症。
• [EN] METHODS OF USING DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY (ADP-RIBOSE)POLYMERASE (PARP)<br/>[FR] MÉTHODES D'UTILISATION D'INHIBITEURS DIHYDROPYRIDOPHTHALAZINONIQUES DE LA POLY(ADP-RIBOSE) POLYMÉRASE (PARP)
  申请人：BIOMARIN PHARM INC

  公开号：WO2011130661A1

  公开（公告）日：2011-10-20

  Provided herein are methods of treating cancer comprising administering a topoisomerase inhibitor, temozolomide, or a platin in combination with a Compound of Formula (I) or Formula (II), where the substituents Y, Z, A, B, R1, R2, R3, R4 and R5 are as defined herein.

  本文提供了治疗癌症的方法，包括联合给药拓扑异构酶抑制剂、替莫唑胺或铂类药物与式（I）或式（II）化合物的方法，其中取代基Y、Z、A、B、R1、R2、R3、R4和R5如本文所定义。
• Aminopyridine compounds
  申请人：The Green Cross Corporation

  公开号：US05262415A1

  公开（公告）日：1993-11-16

  An aminopyridine compound represented by the formula: ##STR1## wherein n represents 0 or 1; Z represents .dbd.S, .dbd.O, .dbd.NCN or .dbd.CHNO.sub.2 ; R.sub.1 represents --CN, --NR.sub.3 R.sub.4, --CONR.sub.3 R.sub.4, --NHNR.sub.3 R.sub.4, --NHCONHR.sub.3, --NHSO.sub.2 R.sub.3 or --SR.sub.3 ; R.sub.2 represents H, or substituted or unsubstituted alkyl; R.sub.3 and R.sub.4, which may be the same or different, represent H, substituted or unsubstituted alkyl, aryl, substituted or unsubstituted acyl or alkoxycarbonyl group; and R.sub.3 and R.sub.4 may form a heterocyclic ring together with a nitrogen atom to which R.sub.3 and R.sub.4 are bound, through another heteroatom or without it; or an acid salt thereof, which is excellent in pharmacological effect and repressed in side effects as a drug for circulatory diseases.

  一种由以下式表示的氨基吡啶化合物：##STR1## 其中n代表0或1；Z代表.dbd.S，.dbd.O，.dbd.NCN或.dbd.CHNO.sub.2；R.sub.1代表--CN，--NR.sub.3 R.sub.4，--CONR.sub.3 R.sub.4，--NHNR.sub.3 R.sub.4，--NHCONHR.sub.3，--NHSO.sub.2 R.sub.3或--SR.sub.3；R.sub.2代表H，或取代或未取代的烷基；R.sub.3和R.sub.4，可以相同也可以不同，代表H，取代或未取代的烷基，芳基，取代或未取代的酰基或烷氧羰基；R.sub.3和R.sub.4可以与R.sub.3和R.sub.4结合的氮原子一起形成杂环环，通过另一个杂原子或不通过；或其酸盐，作为循环疾病药物具有优异的药理效果并且副作用受到抑制。
• DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS
  申请人：Nickolaus Peter

  公开号：US20120035143A1

  公开（公告）日：2012-02-09

  The present invention relates to new drug combinations which contain in addition to one or more PDE4-inhibitors at least one NSAID (=non-steroidal anti-inflammatory drug) (2), processes for preparing them and their use in treating in particular respiratory complaints such as for example COPD, chronic sinusitis and asthma. The invention particularly relates to those drug combinations which contain, in addition to one or more, preferably one PDE4 inhibitor of general formula 1 wherein X is SO or SO 2 , but preferably SO, and wherein R 1 , R 2 , R 3 and R 4 have the meanings given in claim 1, at least one NSAID (2), the preparation thereof and the use thereof for the treatment of respiratory complaints.

  本发明涉及新的药物组合，除了包含一种或多种 PDE4 抑制剂外，还至少包含一种 NSAID（非甾体抗炎药）(2)，以及制备这些药物组合的方法及其在治疗特别是呼吸系统疾病如慢性阻塞性肺病（COPD）、慢性鼻窦炎和哮喘中的应用。本发明特别涉及那些药物组合，除了包含一种或多种，优选一种 PDE4 抑制剂，其通式为 1，其中 X 是 SO 或 SO2，但优选 SO，并且其中 R1、R2、R3 和 R4 具有权利要求 1 中给出的含义，还至少包含一种 NSAID (2)，其制备方法及其用于治疗呼吸系统疾病的使用。

表征谱图