6-bromo-N-propylpyridin-2-amine | 1150271-22-9

• 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
• 英文名称: 6-bromo-N-propylpyridin-2-amine
• CAS: 1150271-22-9
• 化学式: C₈H₁₁BrN₂
• 分子量: 215.093
• InChiKey: GLRFWSGTTISOFP-UHFFFAOYSA-N

物化性质

• 沸点：
  297.2±25.0 °C(Predicted)
• 密度：
  1.421±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Bromo-2-propylaminopyridine, HCl
Synonyms: 6-Bromo-N-propylpyridin-2-amine hydrochloride

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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-Bromo-2-propylaminopyridine, HCl
CAS number: 1150271-22-9

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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: C8H12BrClN2
Molecular weight: 251.6

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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, hydrogen chloride, hydrogen bromide.

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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-bromo-N-propylpyridin-2-amine 在 四(三苯基膦)钯 、 碳酸氢钠 、 一水合肼 作用下， 以 乙二醇二甲醚 、 乙醇 、 氯仿 、 水 为溶剂， 反应 28.0h， 生成 3-(4-chlorophenyl)-1-{3-[6-(propylamino)pyridin-2-yl]phenyl}urea
  参考文献：
  名称：

  Diarylureas as Allosteric Modulators of the Cannabinoid CB1 Receptor: Structure–Activity Relationship Studies on 1-(4-Chlorophenyl)-3-{3-[6-(pyrrolidin-1-yl)pyridin-2-yl]phenyl}urea (PSNCBAM-1)

  摘要：

  The recent discovery of allosteric modulators of the CB1 receptor including PSNCBAM-1 (4) has generated significant interest in CB1 receptor allosteric modulation. Here in the first SAR study on 4, we have designed and synthesized a series of analogs focusing on modifications at two positions. Pharmacological evaluation in calcium mobilization and binding assays revealed the importance of alkyl substitution at the 2-aminopyridine moiety and electron deficient aromatic groups at the 4-chlorophenyl position for activity at the CB1 receptor, resulting in several analogs with comparable potency to 4. These compounds increased the specific binding of [H-3]CP55,940, in agreement with previous reports. Importantly, 4 and two analogs dose-dependently reduced the E-max. of the agonist curve in the CB1 calcium mobilization assays, confirming their negative allosteric modulator characteristics. Given the side effects associated with CB1 receptor orthosteric antagonists, negative allosteric modulators provide an alternative approach to modulate the pharmacologically important CB1 receptor.

  DOI：

  10.1021/jm501042u
• 作为产物：
  描述：

  2-氨基-6-溴吡啶 、 丙醛 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 生成 6-bromo-N-propylpyridin-2-amine
  参考文献：
  名称：

  Diarylureas as Allosteric Modulators of the Cannabinoid CB1 Receptor: Structure–Activity Relationship Studies on 1-(4-Chlorophenyl)-3-{3-[6-(pyrrolidin-1-yl)pyridin-2-yl]phenyl}urea (PSNCBAM-1)

  摘要：

  The recent discovery of allosteric modulators of the CB1 receptor including PSNCBAM-1 (4) has generated significant interest in CB1 receptor allosteric modulation. Here in the first SAR study on 4, we have designed and synthesized a series of analogs focusing on modifications at two positions. Pharmacological evaluation in calcium mobilization and binding assays revealed the importance of alkyl substitution at the 2-aminopyridine moiety and electron deficient aromatic groups at the 4-chlorophenyl position for activity at the CB1 receptor, resulting in several analogs with comparable potency to 4. These compounds increased the specific binding of [H-3]CP55,940, in agreement with previous reports. Importantly, 4 and two analogs dose-dependently reduced the E-max. of the agonist curve in the CB1 calcium mobilization assays, confirming their negative allosteric modulator characteristics. Given the side effects associated with CB1 receptor orthosteric antagonists, negative allosteric modulators provide an alternative approach to modulate the pharmacologically important CB1 receptor.

  DOI：

  10.1021/jm501042u

文献信息

• [EN] METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE<br/>[FR] PROCÉDÉ DE MARQUAGE PAR FLUORESCENCE DE MATÉRIAUX BIOLOGIQUES, MARQUEURS FLUORESCENTS ÉLIMINABLES PAR VOIE THERMIQUE DESTINÉS À CE PROCÉDÉ ET LEURS PROCÉDÉS DE PRÉPARATION ET D'UTILISATION
  申请人：FUTURESYNTHESIS SPOLKA Z O O

  公开号：WO2020117079A1

  公开（公告）日：2020-06-11

  The compounds (12), (13) of the invention are applied as thermosensitive fluorescent labels for labeling of biological material with fluorescent dyes used for biological, chemical or physical analyzes. Disclosed is also a method for fluorescence labeling of nucleosides, nucleotides and oligonucleotides with those fluorescent dyes characterized in that a moiety of general formula 1 or 2 or 3 or 4 with the double bond configuration E is attached to a nucleoside nucleotide or oligonucleotide.

  本发明的化合物（12），（13）被应用为热敏荧光标记物，用于使用于生物、化学或物理分析的荧光染料对生物材料进行标记。还公开了一种荧光标记核苷、核苷酸和寡核苷酸的方法，其中这些荧光染料的特征是将通式1或2或3或4的基团与具有双键构型E的核苷、核苷酸或寡核苷酸结合。
• LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS
  申请人：Chezal Jean-Michel

  公开号：US20110044899A1

  公开（公告）日：2011-02-24

  A compound of formula (I): in which R 1 represents a hydrogen atom, an optionally labelled halogen, a radionuclide or a Sn[(C 1 -C 4 )alkyl] 3 group, Ar represents an aryl group or a heteroaryl group, R 9 represents a hydrogen atom, a (C 1 -C 4 ) alkyl group or forms together with the group R 1 —Ar a ring fused with the Ar group, A represents a group of formula (β) or (δ): R 3 and R 4 independently represent a hydrogen atom, a (C 1 -C 6 )alkyl group, a (C 1 -C 6 ) alkenyl group or a group of formula (y): wherein R 11 represents an optionally labelled halogen, a radionuclide, an aryl or heteroaryl group optionally substituted by an optionally labelled halogen, a radionuclide, a —NO 2 group, a —NR 5 R 6 group, a N + R 5 R 6 R 7 X − group, or a —OSO 2 R 12 group, and their addition salts with pharmaceutically acceptable acids.

  化合物的化学式为(I)：其中R1代表氢原子、可选择标记的卤素、放射性核素或Sn[(C1-C4)烷基]3基团，Ar代表芳基或杂芳基，R9代表氢原子、(C1-C4)烷基或与基团R1-Ar共同形成与Ar基团融合的环，A代表化学式(β)或(δ)的基团：R3和R4分别独立地代表氢原子、(C1-C6)烷基、(C1-C6)烯基或化学式(y)的基团：其中R11代表可选择标记的卤素、放射性核素、可选择取代的芳基或杂芳基，取代基可以是可选择标记的卤素、放射性核素、—NO2基团、—NR5R6基团、N+R5R6R7X−基团或—OSO2R12基团，以及它们与药物可接受的酸形成的加合物。
• Olefin polymerization catalyst systems and methods of use thereof
  申请人：Dow Global Technologies LLC

  公开号：US10968289B2

  公开（公告）日：2021-04-06

  Olefin polymerization catalyst systems are provided that include a procatalyst component having a metal-ligand complex of Formula (I): [formula] (I) where each X is a neutral, monoanionic, or dianionic, monodentate or polydentate ligand such that the complex of Formula (I) is neutral; each R1 and R10 is a (C6-C40)aryl, substituted (C6-C40)aryl, (C3-C40)heteroaryl, or substituted (C3-C40)heteroaryl; each R2, R3, R4, R7, R8, and R9 is a hydrogen; (C1-C40)hydrocarbyl; substituted (C1-C40)hydrocarbyl; (C1-C40)heterohydrocarbyl; substituted (C1-C40)heterohydrocarbyl; halogen; or nitro (NO2) group; and each R5 and R6 is a (C1-C)alkyl; substituted (C1-C40)alkyl; or [(Si)1—(C+Si)40] substituted organosilyl. Additionally, olefin-based polymers and processes for polymerizing one or more olefin-based polymers in the presence of the olefin polymerization catalyst systems are also provided.

  提供了烯烃聚合催化剂体系，该体系包括具有式（I）金属配体络合物的原催化剂组分：[式](I) 其中每个 X 是中性、单阴离子或二阴离子、单齿或多齿配体，使式 (I) 的络合物为中性；每个 R1 和 R10 是 (C6-C40)aryl 、取代的 (C6-C40)aryl 、(C3-C40)杂芳基或取代的 (C3-C40)heteroaryl ；每个 R2、R3、R4、R7、R8 和 R9 是氢；(C1-C40)烃基；取代的(C1-C40)烃基；(C1-C40)杂烃基；取代的(C1-C40)杂烃基；卤素；或硝基（NO2）；以及每个 R5 和 R6 是(C1-C)烷基；取代的(C1-C40)烷基；或[(Si)1-(C+Si)40]取代的有机硅基。此外，还提供了烯烃基聚合物和在烯烃聚合催化剂体系存在下聚合一种或多种烯烃基聚合物的工艺。
• OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS OF USE THEREOF
  申请人：Dow Global Technologies LLC

  公开号：EP3436487B1

  公开（公告）日：2020-01-22
• METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE
  申请人：Futuresynthesis Spólka z o.o.

  公开号：EP3891225A1

  公开（公告）日：2021-10-13