2-甲氧基-5-硝基-3-甲基吡啶 | 89694-10-0

• 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1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 2-甲氧基-5-硝基-3-甲基吡啶
• 中文别名: 2甲氧基-3甲基-5硝基吡啶2-METHOXY-5-NITRO-3-PICOLINE；2-甲氧基-3-甲基-5-硝基吡啶
• 英文名称: 2-methoxy-3-methyl-5-nitropyridine
• 英文别名: 2-Methoxy-3-methyl-5-nitro-pyridin
• CAS: 89694-10-0
• 化学式: C₇H₈N₂O₃
• mdl: MFCD04972416
• 分子量: 168.152
• InChiKey: HEDKXDCXKNQWEX-UHFFFAOYSA-N

物化性质

• 沸点：
  279.7±35.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 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
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methoxy-5-nitro-3-picoline
Synonyms: 2-Methoxy-3-methyl-5-nitropyridine

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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: 2-Methoxy-5-nitro-3-picoline
CAS number: 89694-10-0

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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: C7H8N2O3
Molecular weight: 168.2

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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：

  2-甲氧基-5-硝基-3-甲基吡啶 在 palladium 10% on activated carbon 甲醇 、 sodium hydroxide 、 水 、 氢气 作用下， 以 甲醇 为溶剂， 反应 78.54h， 生成 5-methoxy-6-methyl-3h-imidazo[4,5-b]pyridine-2-thiol
  参考文献：
  名称：

  [EN] IMIDAZOPYRIDINE COMPOUND
  [FR] COMPOSÉ IMIDAZOPYRIDINE

  摘要：

  由以下一般式（1）表示的化合物，或其盐或水合物：其中R1代表可被取代的C1-C6烷基或C2-C6炔基，或可被取代的苯基，R2代表氢原子或C1-C6烷基，R3代表甲基或乙基基团，R4代表C1-C6烷基，R5代表氢原子，但其中R1为未取代或取代为卤素原子的C1-C6烷基，且R2为氢原子的化合物除外。

  公开号：

  WO2005103049A1
• 作为产物：
  描述：

  2-氟-3-甲基吡啶 在 硫酸 、 硝酸 作用下， 以 甲醇 为溶剂， 反应 0.25h， 生成 2-甲氧基-5-硝基-3-甲基吡啶
  参考文献：
  名称：

  [EN] IMIDAZOPYRIDINE COMPOUND
  [FR] COMPOSÉ IMIDAZOPYRIDINE

  摘要：

  由以下一般式（1）表示的化合物，或其盐或水合物：其中R1代表可被取代的C1-C6烷基或C2-C6炔基，或可被取代的苯基，R2代表氢原子或C1-C6烷基，R3代表甲基或乙基基团，R4代表C1-C6烷基，R5代表氢原子，但其中R1为未取代或取代为卤素原子的C1-C6烷基，且R2为氢原子的化合物除外。

  公开号：

  WO2005103049A1

文献信息

• [EN] NEW 6-MEMBERED HETEROAROMATIC SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE CYANOINDOLINE À SUBSTITUTION HÉTÉROAROMATIQUE À 6 CHAÎNONS UTILISÉS COMME INHIBITEURS DE NIK
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2017125534A1

  公开（公告）日：2017-07-27

  The present invention relates to pharmaceutical agents of formula (I), useful for therapy and/or prophylaxis in a mammal, and in particular to inhibitors of NF-KB-inducing kinase (NIK - also known as MAP3K14) useful for treating diseases such as cancer, inflammatory disorders, metabolic disorders and autoimmune disorders. The invention is also directed to pharmaceutical compositions comprising such compounds, and to the use of such compounds or pharmaceutical compositions for the prevention or treatment of diseases such as cancer, inflammatory disorders, metabolic disorders including obesity and diabetes, and autoimmune disorders.

  本发明涉及公式（I）的药物制剂，用于治疗和/或预防哺乳动物，特别是用于治疗癌症、炎症性疾病、代谢性疾病和自身免疫性疾病的NF-KB诱导激酶（NIK - 也称为MAP3K14）抑制剂。该发明还涉及包含这些化合物的药物组合物，以及利用这些化合物或药物组合物预防或治疗癌症、炎症性疾病、包括肥胖和糖尿病在内的代谢性疾病以及自身免疫性疾病的用途。
• Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity
  申请人：Hartz Richard A.

  公开号：US20100029684A1

  公开（公告）日：2010-02-04

  The invention relates to the compound (S)-4-(1-cyclopropyl-2-methoxyethyl)-6-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)-5-oxo-4,5-dihydropyrazine-2-carbonitrile, pharmaceutical compositions of the compound, and methods of using the compound for the treatment of psychiatric disorders and neurological diseases including depression, anxiety related disorders, irritable bowel syndrome, addiction and negative aspects of drug and alcohol withdrawal, and other conditions associated with CRF.

  这项发明涉及化合物(S)-4-(1-环丙基-2-甲氧基乙基)-6-(6-(二氟甲氧基)-2,5-二甲基吡啶-3-基氨基)-5-氧代-4,5-二氢吡嗪-2-羰基腈，该化合物的药物组合物，以及使用该化合物治疗精神障碍和神经系统疾病，包括抑郁症、焦虑相关障碍、肠易激综合征、成瘾以及药物和酒精戒断的负面影响，以及与CRF相关的其他症状的方法。
• A Strategy to Minimize Reactive Metabolite Formation: Discovery of (<i>S</i>)-4-(1-Cyclopropyl-2-methoxyethyl)-6-[6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino]-5-oxo-4,5-dihydropyrazine-2-carbonitrile as a Potent, Orally Bioavailable Corticotropin-Releasing Factor-1 Receptor Antagonist
  作者：Richard A. Hartz、Vijay T. Ahuja、Xiaoliang Zhuo、Ronald J. Mattson、Derek J. Denhart、Jeffrey A. Deskus、Vivekananda M. Vrudhula、Senliang Pan、Jonathan L. Ditta、Yue-Zhong Shu、James E. Grace、Kimberley A. Lentz、Snjezana Lelas、Yu-Wen Li、Thaddeus F. Molski、Subramaniam Krishnananthan、Henry Wong、Jingfang Qian-Cutrone、Richard Schartman、Rex Denton、Nicholas J. Lodge、Robert Zaczek、John E. Macor、Joanne J. Bronson

  DOI：10.1021/jm900716v

  日期：2009.12.10

  6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine group in 19e contributed to the potency and improved in vivo properties of this compound and related analogues. 19e had excellent pharmacokinetic properties in rats and dogs and showed efficacy in the defensive withdrawal model of anxiety in rats. The lowest efficacious dose was 1.8 mg/kg. The results of a two-week rat safety study with 19e indicated that this compound

  详细的代谢表征8是一种较早的基于吡嗪酮的铅促肾上腺皮质激素释放因子1（CRF 1）受体拮抗剂，表明该化合物形成了显着水平的反应性代谢产物，如体内和体外生物转化研究所测。由于有大量证据表明反应性代谢物可能与特异药物反应有关，因此这一点特别令人关注。基于吡嗪酮的CRF 1受体拮抗剂的结构活性关系和体内性质的进一步优化以及评估反应性代谢产物形成的研究导致了19e（一种高亲和力的CRF 1受体拮抗剂）的发现（IC 50＝ 0.86nM），其中GSH加合物估计仅为通过胆汁和尿液排泄的药物相关物质总量的0.1％，表明体内反应性代谢物形成的水平较低。19e中一个新的6-（二氟甲氧基）-2,5-二甲基吡啶-3-胺基团对该化合物和相关类似物的效力和体内特性作出了贡献。19e在大鼠和狗中具有出色的药代动力学特性，并且在大鼠焦虑性戒断模型中显示出功效。最低有效剂量为1.8 mg / kg。为期两周的19e大鼠安
• Imidazopyridine compound
  申请人：Miyazawa Shuhei

  公开号：US20050272764A1

  公开（公告）日：2005-12-08

  A compound represented by the following general formula (1), or a salt or hydrate thereof: wherein R 1 represents a C1-C6 alkyl group or C2-C6 alkynyl group which may be substituted, or a phenyl group which may be substituted, R 2 represents a hydrogen atom or a C1-C6 alkyl group, R 3 represents methyl or ethyl group, R 4 represents a C1-C6 alkyl group, R 5 represents a hydrogen atom, provided that a compound wherein R 1 is a C1-C6 alkyl group unsubstituted or substituted with a halogen atom and R 2 is a hydrogen atom is excluded.

  以下是用一般公式（1）表示的化合物，或其盐或水合物： 其中，R1表示C1-C6烷基或C2-C6炔基，可以被取代，或苯基，可以被取代；R2表示氢原子或C1-C6烷基；R3表示甲基或乙基基团；R4表示C1-C6烷基；R5表示氢原子，但其中不包括R1为未取代或取代了卤素原子的C1-C6烷基且R2为氢原子的化合物。
• Compounds and methods for treating dyslipidemia
  申请人：Bell Gregory Michael

  公开号：US20070173526A1

  公开（公告）日：2007-07-26

  The present invention discloses compounds of formula (I) wherein A, n, q, K, W, X, Y; Z, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are as defined herein and their pharmaceutical compositions and methods of use are disclosed as useful for treating dyslipidemia and its sequelae.

  本发明披露了化合物的公式（I），其中A，n，q，K，W，X，Y; Z，R1，R2，R3，R4，R5和R6如本文所定义，并披露了它们的药物组成物和使用方法，用于治疗脂质代谢紊乱及其后遗症。