2-氨基-5-甲基烟醛 | 1023814-35-8

• 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 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氨基-5-甲基烟醛
• 中文别名: 2-氨基-5-甲基烟碱醛；2-氨基-5-甲基-3-吡啶甲醛
• 英文名称: 2-Amino-5-methylnicotinaldehyde
• 英文别名: 2-amino-5-methylpyridine-3-carbaldehyde
• CAS: 1023814-35-8
• 化学式: C₇H₈N₂O
• 分子量: 136.153
• InChiKey: KHLBBDOMXLJWGR-UHFFFAOYSA-N

物化性质

• 沸点：
  293.0±40.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  56
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• WGK Germany：
  3

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-5-methylnicotinaldehyde
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: 2-Amino-5-methylnicotinaldehyde
CAS number: 1023814-35-8

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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: C7H8N2O
Molecular weight: 136.2

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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-氨基-5-甲基烟醛 、 苯乙炔 在 copper(II) bis(trifluoromethanesulfonate) 、 二乙胺 作用下， 以 乙腈 为溶剂， 反应 13.0h， 以51%的产率得到3-methyl-6-phenyl-1,8-naphthyridine
  参考文献：
  名称：

  由2-氨基烟碱醛和末端炔烃合成1,8-萘啶

  摘要：

  描述了用于2-氨基烟碱醛和末端炔烃反应生成1,8-萘啶的三氟甲磺酸铜（II）催化的二乙胺辅助方案。整个过程大概涉及三氟甲磺酸铜（II）催化的三键加氢胺化，然后是所得烯胺与2-氨基烟碱醛的弗里德兰德型缩合反应。

  DOI：

  10.1016/j.tetlet.2016.03.070
• 作为产物：
  描述：

  2-氨基-5-甲基吡啶 在 盐酸 、 4-二甲氨基吡啶 、 potassium permanganate 、 silver hexafluoroantimonate 、 [Cp*RhCl2]2 、 copper diacetate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 、 1,2-二氯乙烷 为溶剂， 反应 120.0h， 生成 2-氨基-5-甲基烟醛
  参考文献：
  名称：

  Rhodium(III)-Catalyzed Oxidative Olefination of Pyridines and Quinolines: Multigram-Scale Synthesis of Naphthyridinones

  摘要：

  A Rh(III)-catalyzed oxidative olefination of pyridines and quinolines has been achieved. This method has a broad substrate scope and has been applied to the expeditious, multigram-scale synthesis of naphthyridinones.

  DOI：

  10.1021/ol401540k

文献信息

• [EN] SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS<br/>[FR] COMPOSÉS D'HÉTÉROARYLE D'AMINOBENZYLE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS D'EGFR ET/OU DE PI3K
  申请人：MEKANISTIC THERAPEUTICS LLC

  公开号：WO2022140456A1

  公开（公告）日：2022-06-30

  This disclosure is in the field of medicinal chemistry, and relates to a new class of small-molecules having the Formula I, or a pharmaceutically acceptable salt or solvate thereof, or an enantiomer, a mixture of enantiomers, a mixture of two or more diastereomers, or an isotopic variant thereof, wherein the variables Ring A, X, R1a, R1b, R2, R3, R4, m, n, and p are described herein, which function as dual inhibitors of EGFR proteins and PI3K proteins. The disclosure further relates to the use of the compounds described herein as therapeutics for the treatment of diseases and conditions mediated by EGFR proteins and/or PI3K proteins, such as cancer and other diseases.

  本公开涉及药物化学领域，涉及一类新的小分子化合物，其具有式I，或其药学上可接受的盐或溶剂化物，或其对映体，对映体混合物，两个或两个以上的非对映异构体混合物，或其同位素变体，其中变量环A、X、R1a、R1b、R2、R3、R4、m、n和p在本文中有所描述，其作为EGFR蛋白和PI3K蛋白的双重抑制剂。本公开进一步涉及将所述化合物用作治疗EGFR蛋白和/或PI3K蛋白介导的疾病和病状的治疗剂，例如癌症和其他疾病。
• QUINOLONE COMPOUND
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：EP3318557A2

  公开（公告）日：2018-05-09

  The present invention provides a compound represented by the formula (I) wherein X is a hydrogen atom or a fluorine atom; R is a hydrogen atom or alkyl; R1 is (1) cyclopropyl optionally substituted by 1 to 3 halogen atoms or (2) phenyl optionally substituted by 1 to 3 halogen atoms; R2 is alkyl, alkoxy, haloalkoxy, a halogen atom, cyano, etc.; and R3 is 7-oxo-7,8-dihydro-1,8-naphthyridinyl, 3-pyridyl, etc., or a salt thereof. The compound of the present invention has excellent antimicrobial activity against Clostridium difficile and is useful for the prevention or treatment of intestinal infection such as Clostridium difficile-associated diarrhea.

  本发明提供了一种由式 (I) 表示的化合物 其中 X 是氢原子或氟原子；R 是氢原子或烷基；R1 是(1)任选被 1 至 3 个卤素原子取代的环丙基或(2)任选被 1 至 3 个卤素原子取代的苯基；R2 是烷基、烷氧基、卤代烷氧基、卤素原子、氰基等；R3 是 7-氧代-7,8-二氢-1,8-萘啶基、3-吡啶基等或其盐。本发明的化合物对艰难梭菌具有优异的抗菌活性，可用于预防或治疗艰难梭菌相关性腹泻等肠道感染。
• PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION
  申请人：Shanghai Ennovabio Pharmaceuticals Co., Ltd.

  公开号：EP3831824A1

  公开（公告）日：2021-06-09

  The present invention discloses the preparation and application of heterocyclic compound having immunoregulatory function. Specifically, the present invention discloses a compound having a structure according to Formula I, wherein the definition of each group is as described in the specification. The invention also provides the use of the compounds in regulating immunity and inhibiting PD-1/PD-L1.

  本发明公开了具有免疫调节功能的杂环化合物的制备和应用。具体而言，本发明公开了一种具有符合式 I 结构的化合物，其中各基团的定义如说明书所述。本发明还提供了该化合物在调节免疫和抑制 PD-1/PD-L1 方面的用途。
• [EN] PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION<br/>[FR] PRÉPARATION ET APPLICATION DE CLASSE DE COMPOSÉS HÉTÉROCYCLIQUES À TENEUR EN N AYANT UNE FONCTION IMMUNORÉGULATRICE<br/>[ZH] 一类具有免疫调节功能的含N杂环化合物的制备和应用
  申请人：SHANGHAI ENNOVABIO PHARMACEUTICALS CO LTD

  公开号：WO2020024997A1

  公开（公告）日：2020-02-06

  一种结构如式I所示的杂环化合物、其制备方法和用途被公开，该化合物具有免疫调节作用，可用于预防和/或治疗与PD-1/PD-L1的活性或表达量相关的疾病。