2-氨基-6-异丙基吡啶 | 78177-12-5

• 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-6-异丙基吡啶
• 中文别名: 6-异丙基吡啶-2-胺
• 英文名称: 6-isopropylpyridin-2-amine
• 英文别名: 6-(1-methylethyl)-2-pyridinamine；6-propan-2-ylpyridin-2-amine
• CAS: 78177-12-5
• 化学式: C₈H₁₂N₂
• 分子量: 136.197
• InChiKey: HAHXPMFFMRTIJV-UHFFFAOYSA-N

物化性质

• 沸点：
  224.8±20.0 °C(Predicted)
• 密度：
  1.008±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P501,P270,P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313,P301+P312+P330
• 危险性描述：
  H302,H315,H319

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Isopropylpyridin-2-amine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician

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Section 3. Composition/information on ingredients.
Ingredient name: 6-Isopropylpyridin-2-amine
CAS number: 78177-12-5

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H12N2
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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (6-Isopropylpyridin-2-amine)

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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-6-异丙基吡啶 在 氨 作用下， 以 甲醇 、 二甲基亚砜 、 乙腈 为溶剂， 反应 64.5h， 生成 6-(2-aminoethylamino)-4-(6-isopropyl-5-methylpyridin-2-ylamino)pyridazine-3-carboxamide
  参考文献：
  名称：

  Using Ovality to Predict Nonmutagenic, Orally Efficacious Pyridazine Amides as Cell Specific Spleen Tyrosine Kinase Inhibitors

  摘要：

  Inhibition of spleen tyrosine kinase has attracted much attention as a mechanism for the treatment of cancers and autoimmune diseases such as asthma, rheumatoid arthritis, and systemic lupus erythematous. We report the structure-guided optimization of pyridazine amide spleen tyrosine kinase inhibitors. Early representatives of this scaffold were highly potent and selective but mutagenic in an Ames assay. An approach that led to the successful identification of nonmutagenic examples, as well as further optimization to compounds with reduced cardiovascular liabilities is described. Select pharmacokinetic and in vivo efficacy data are presented.

  DOI：

  10.1021/jm401982j
• 作为产物：
  描述：

  2-氨基-6-溴吡啶 在 盐酸 、 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 21.5h， 生成 2-氨基-6-异丙基吡啶
  参考文献：
  名称：

  [EN] AMINO SULFONYL DERIVATIVES AS INHIBITORS OF HUMAN 11-.BETA.-HYDROSYSTEROID DEHYDROGENASE
  [FR] NOUVEAUX COMPOSES DE DERIVES AMINOSULFONYLES

  摘要：

  公开号：

  WO2006106423A3

文献信息

• JANUS KINASE INHIBITOR COMPOUNDS AND METHODS
  申请人：GOODACRE SIMON CHARLES

  公开号：US20100317643A1

  公开（公告）日：2010-12-16

  The invention provides compounds of Formula I, stereoisomers or pharmaceutically acceptable salts thereof, wherein A, B, D, R 1 , R 2 , R 4 and R 5 are defined herein, a pharmaceutical composition that includes a compound of Formula I and methods of use thereof

  这项发明提供了公式I的化合物，其立体异构体或药学上可接受的盐，其中A、B、D、R1、R2、R4和R5在此处被定义，包括公式I化合物的药物组合物以及其使用方法
• NOVEL CEPHEM DERIVATIVE
  申请人：Kusano Hiroki

  公开号：US20130096299A1

  公开（公告）日：2013-04-18

  Provided is a cephem compound which has a wide antimicrobial spectrum, and in particular exhibit potent antimicrobial activity against beta-lactamase producing Gram negative bacteria, and pharmaceutical composition comprising the same. A Compound of the formula (I): wherein W and U are as defined in the specification; R 1 is as defined in the specification; R 2A and R 2B are as defined in the specification, provided that R 2A and R 2B are not taken together to form an optionally substituted oxime group when R 1 is aminothiazole or aminothiadiazole optionally protected at the amino group; ring A is a benzene ring or a 6-membered aromatic heterocyclic group having 1-3 nitrogen atoms; R 3 is a hydrogen atom, —OCH 3 or —NH—CH(═O); k is an integer from 0 to 2; R 4 is as defined in the specification; and D and E are as defined in accordance with a) or b) described in the specification.

  提供一种头孢菌素化合物，具有广泛的抗菌谱，特别对产β-内酰胺酶的革兰氏阴性细菌表现出强效的抗菌活性，以及包含该化合物的药物组合物。 化合物的结构式（I）如下： 其中 W和U如规范中定义； R1如规范中定义； R2A和R2B如规范中定义，但要求当R1为氨基噻唑或氨基噻二唑，在氨基团上选择性保护时，R2A和R2B不能一起形成可选择取代的肟基团； 环A是苯环或具有1-3个氮原子的6元芳香杂环基团； R3是氢原子，—OCH3或—NH—CH(═O)； k是从0到2的整数； R4如规范中定义；以及 D和E根据规范中描述的a)或b)中的定义。
• Tetrahydroquinazoline Derivatives Useful as Anticancer Agents
  申请人：PFIZER INC.

  公开号：US20190248767A1

  公开（公告）日：2019-08-15

  Compounds of the general formula: processes for the preparation of these compounds, compositions containing these compounds, and the uses of these compounds.

  具有一般公式： 这些化合物的制备方法，包含这些化合物的组合物，以及这些化合物的用途。
• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：giraFpharma LLC

  公开号：US20190106427A1

  公开（公告）日：2019-04-11

  Heterocyclic compounds as Wee1 inhibitors are provided. The compounds may find use as therapeutic agents for the treatment of diseases and may find particular use in oncology.

  提供了作为Wee1抑制剂的杂环化合物。这些化合物可能被用作治疗剂，用于治疗疾病，并且可能在肿瘤学中发挥特定作用。
• Overcoming Mutagenicity and Ion Channel Activity: Optimization of Selective Spleen Tyrosine Kinase Inhibitors
  作者：J. Michael Ellis、Michael D. Altman、Alan Bass、John W. Butcher、Alan J. Byford、Anthony Donofrio、Sheila Galloway、Andrew M. Haidle、James Jewell、Nancy Kelly、Erica K. Leccese、Sandra Lee、Matthew Maddess、J. Richard Miller、Lily Y. Moy、Ekundayo Osimboni、Ryan D. Otte、M. Vijay Reddy、Kerrie Spencer、Binyuan Sun、Stella H. Vincent、Gwendolyn J. Ward、Grace H. C. Woo、Chiming Yang、Hani Houshyar、Alan B. Northrup

  DOI：10.1021/jm5018169

  日期：2015.2.26

  bacterial mutagenicity in the Ames test using TA97a Salmonella strain, and subsequent study demonstrated that this mutagenicity was pervasive throughout the series. Identification of intercalation as a likely mechanism for the mutagenicity-enabled modification of the core scaffold. Implementation of a DNA binding assay as a prescreen and models in DNA allowed resolution of the mutagenicity risk, affording

  描述了开发一系列具有良好药物样特性的高促动素选择性脾酪氨酸激酶（Syk）抑制剂。通过X射线晶体学分析，以及对选定化学空间内核心的系统调查（以配体结合效率为重点），发现了早期的铅。通过调节包括log D，PSA和p K a在内的物理化学性质来指导初始化学型中固有的hERG离子通道活性的减弱。PSA被证明对预期的化合物设计最有效。使用TA97a沙门氏菌的Ames试验进一步分析了先进化合物的细菌致突变性菌株，随后的研究表明，这种诱变性在整个系列中普遍存在。插入的鉴定是核心支架诱变启用修饰的可能机制。将DNA结合测定作为DNA的预筛选和模型，可以解决诱变风险，为分子提供了有利的效价，选择性，药代动力学和脱靶特性。