1-甲基哌啶-4-甲酸盐酸盐 | 71985-80-3

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-甲基哌啶-4-甲酸盐酸盐
• 中文别名: N-甲基-4-哌啶甲酸盐酸盐；1-甲基哌啶-4-羧酸盐酸盐；1-甲基哌啶-4-甲酸盐酸
• 英文名称: 1-methylpiperidine-4-carboxylic acid hydrochloride
• 英文别名: N-methylisonipecotic acid hydrochloride；N-Methylpiperidine-4-carboxylic acid hydrochloride；1-methylisonipecotic acid hydrochloride；1-methylpiperidine-4-carboxylate hydrochloride；1-methylpiperidin-4-carboxylic acid hydrochloride；1-methylpiperidine-4-carboxylic acid;hydrochloride
• CAS: 71985-80-3
• 化学式: C₇H₁₄NO₂*Cl
• mdl: MFCD00190235
• 分子量: 179.647
• InChiKey: NLUDEWJJEMHIIL-UHFFFAOYSA-N

物化性质

• 熔点：
  226-228°C (dec.)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.47
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  41.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
1-Methylpiperidine-4-carboxylic acid, HCl
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H318: Causes serious eye damage
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 1-Methylpiperidine-4-carboxylic acid, HCl
CAS number: 71985-80-3

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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
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
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.

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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: C7H13NO2.ClH
Molecular weight: 179.6

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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.

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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：

  1-甲基哌啶-4-甲酸盐酸盐 在 氯化亚砜 作用下， 生成 N-甲基-4-哌啶甲酰氯盐酸盐
  参考文献：
  名称：

  TXA709，一种靶向FtsZ的苯甲酰胺前药，具有改善的药代动力学和针对耐甲氧西林的金黄色葡萄球菌的体内功效。

  摘要：

  靶向FtsZ的苯甲酰胺化合物（如PC190723）的临床开发受到不良的类药物和药代动力学特性的限制。PC190723（例如TXY541）前药的开发增强了药物性能，进而提高了静脉内疗效，并首次证明了体内对甲氧西林敏感的金黄色葡萄球菌（MSSA）和甲氧西林-耐药金黄色葡萄球菌（MRSA）。尽管在体内是有效的，但TXY541仍存在药代动力学欠佳和需要高剂量的痛苦。我们在这里描述了一种新的前药（TXA709）的设计，其中吡啶环上的Cl基已被具有抗代谢攻击能力的CF3官能团取代。由于这种新陈代谢的稳定性增强，与PC190723相比，TXA709前药（TXA707）的产品具有改善的药代动力学特性（半衰期延长6.5倍，口服生物利用度提高3倍），并且体内抗葡萄球菌功效更高。我们验证FtsZ作为TXA707的抗菌目标，并证明该化合物保留了对目前对标准护理药物万古霉素，达托霉素和利奈唑胺有抗药性的金黄色葡萄球

  DOI：

  10.1128/aac.00708-15
• 作为产物：
  描述：

  1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylic acid hydrochloride 生成 1-甲基哌啶-4-甲酸盐酸盐
  参考文献：
  名称：

  TSUI S.-K.; WOOD J. D., CAN. J. CHEM., 1979, 57, NO 15, 1977-1979

  摘要：

  DOI：
• 作为试剂：
  描述：

  、 1-甲基哌啶-4-甲酸盐酸盐 在 1-甲基哌啶-4-甲酸盐酸盐 作用下， 生成
  参考文献：
  名称：

  Bioorg. Med. Chem. 2010, 18, 1844–1853

  摘要：

  DOI：

文献信息

• 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS
  申请人：Payne Lloyd James

  公开号：US20110009390A1

  公开（公告）日：2011-01-13

  The invention provides compounds of formula (I), and pharmaceutically and agriculturally acceptable salts thereof: wherein: R1, R2, R3, R4, R5, R6, R7, R8, A1, L1 and n are as defined herein. These compounds and their pharmaceutically acceptable salts are useful in the manufacture of medicaments for use in the prevention or treatment of a fungal disease. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  该发明提供了式(I)的化合物，以及其在药学和农业上可接受的盐：其中：R1、R2、R3、R4、R5、R6、R7、R8、A1、L1和n如本文所定义。这些化合物及其药学上可接受的盐在制造用于预防或治疗真菌病的药物方面是有用的。式(I)的化合物及其在农业上可接受的盐也可用作农业杀菌剂。
• Methods and compounds for inhibiting mrp1
  申请人：——

  公开号：US20030100576A1

  公开（公告）日：2003-05-29

  The present invention further relates to a method of inhibiting MRP1 in a mammal which comprises administering to a mammal in need thereof an effective amount of a compound of formula (I).

  本发明还涉及一种抑制哺乳动物中MRP1的方法，包括向需要的哺乳动物施用化合物(I)的有效量。
• [EN] ANTIMICROBIAL AGENTS<br/>[FR] AGENTS ANTIMICROBIENS
  申请人：UNIV RUTGERS

  公开号：WO2014074932A1

  公开（公告）日：2014-05-15

  The invention provides compounds of formula (I): wherein R1-R3, n, and W have any of the values defined in the specification, and salts thereof. The compounds have good solubility and are useful for treating bacterial infections.

  该发明提供了式（I）的化合物：其中R1-R3，n和W具有规范中定义的任何值，以及其盐。这些化合物具有良好的溶解性，并可用于治疗细菌感染。
• [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS<br/>[FR] DERIVES DE BENZIMIDAZOLES ET UTILISATION DE CEUX-CI EN TANT QUE LIGANDS DU RECEPTEUR VANILLOIDE
  申请人：AMGEN INC

  公开号：WO2004035549A1

  公开（公告）日：2004-04-29

  Compounds of formula (I) are useful in the treatment of vanilloid-receptor-meditated diseases, such as inflammatory or neuropathic pain and diseases involving sensory nerve function such as asthma, rheumatoid arthritis, osteoarthritis, inflammatory bowel disorders, urinary incontinence, migraine and psoriasis.

  式（I）的化合物在治疗辣椒素受体介导的疾病方面很有用，如炎症性或神经病痛以及涉及感觉神经功能的疾病，如哮喘、类风湿性关节炎、骨关节炎、炎症性肠道疾病、尿失禁、偏头痛和牛皮癣。
• ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF
  申请人：AMARI Gabriele

  公开号：US20120276018A1

  公开（公告）日：2012-11-01

  Compounds according to formula (I) are effective for the treatment of broncho-obstructive and inflammatory diseases.

  根据公式(I)的化合物对治疗支气管阻塞和炎症性疾病有效。