(R)-2-氨基-3-(3-氟-苯基)-丙酸甲酯盐酸盐 | 201479-09-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (R)-2-氨基-3-(3-氟-苯基)-丙酸甲酯盐酸盐
• 英文名称: methyl (R)-2-amino-3-(3-fluorophenyl)propanoate hydrochloride
• 英文别名: meta-fluoro-D-phenylalanine methyl ester hydrochloride；(R)-Methyl 2-amino-3-(3-fluorophenyl)propanoate hydrochloride；methyl (2R)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
• CAS: 201479-09-6
• 化学式: C₁₀H₁₂FNO₂*ClH
• 分子量: 233.67
• InChiKey: LIYCRVHARXGJKA-SBSPUUFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2922499990

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: H-M-Fluoro-D-Phe-OMe HCl
Synonyms: Methyl D-(3-fluorophenyl)alanine 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: H-M-Fluoro-D-Phe-OMe HCl
CAS number: 201479-09-6

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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: C10H12FNO2.ClH
Molecular weight: 233.7

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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 fluoride.

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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：

  1H-苯并咪唑-5-羧酸 、 (R)-2-氨基-3-(3-氟-苯基)-丙酸甲酯盐酸盐 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 15.0h， 生成 methyl (2R)-2-(3H-benzimidazole-5-carbonylamino)-3-(3-fluorophenyl)propanoate
  参考文献：
  名称：

  [EN] PHOSPHATE/SULFATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN INTERACTING NIMA (PIN1)
  [FR] COMPOSES A BASE D'ESTERS DE SULFATE/PHOSPHATE ET COMPOSITIONS PHARMACEUTIQUES INHIBANT L'ACTIVITE DE NIMA INTERAGISSANT AVEC DES PROTEINES (PIN1)

  摘要：

  磷酸/硫酸酯化合物能够调节和/或抑制与蛋白质相互作用的NIMA（PIN1）的活性，以及包含此类化合物的药物组合物。本发明还涉及此类化合物和组合物的治疗或预防用途，以及通过施用有效量的此类化合物来治疗表现为高血压、不适当的细胞增殖、传染性疾病和神经退行性脑障碍的方法。

  公开号：

  WO2004087720A1
• 作为产物：
  描述：

  甲醇 、 D-3-氟苯丙氨酸 在 氯化亚砜 作用下， 反应 15.0h， 生成 (R)-2-氨基-3-(3-氟-苯基)-丙酸甲酯盐酸盐
  参考文献：
  名称：

  [EN] PHOSPHATE/SULFATE ESTER COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN INTERACTING NIMA (PIN1)
  [FR] COMPOSES A BASE D'ESTERS DE SULFATE/PHOSPHATE ET COMPOSITIONS PHARMACEUTIQUES INHIBANT L'ACTIVITE DE NIMA INTERAGISSANT AVEC DES PROTEINES (PIN1)

  摘要：

  磷酸/硫酸酯化合物能够调节和/或抑制与蛋白质相互作用的NIMA（PIN1）的活性，以及包含此类化合物的药物组合物。本发明还涉及此类化合物和组合物的治疗或预防用途，以及通过施用有效量的此类化合物来治疗表现为高血压、不适当的细胞增殖、传染性疾病和神经退行性脑障碍的方法。

  公开号：

  WO2004087720A1

文献信息

• NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS
  申请人：Ackermann Jean

  公开号：US20080103183A1

  公开（公告）日：2008-05-01

  Compounds of formula as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 to R 6 have the significance given in claim 1 can be used in the form of pharmaceutical compositions.

  具有以下公式的化合物以及其药学上可接受的盐和酯，其中R1至R6具有权利要求1中给定的含义，可以用作药物组合物的形式。
• [EN] SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS<br/>[FR] (INDOLE-2-CARBONYL-)-GLYCINAMIDES SUBSTITUES EN N ET LEURS DERIVES, SERVANT D'INHIBITEURS DE LA GLYCOGENE PHOSPHORYLASE
  申请人：PFIZER, INC.

  公开号：WO1996039384A1

  公开（公告）日：1996-12-12

  (EN) Compounds of Formula (1) wherein R6 is carboxy, (C1-C8)alkoxycarbonyl, benzyloxycarbonyl, C(O)NR8R9 or C(O)R12 as glucogen phosphorylase inhibitors, pharmaceutical compositions containing such inhibitors and the use of such inhibitors to treat diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemia, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals.(FR) L'invention concerne des composés de formule (1) où R6 représente carboxy, alcoxycarbonyle (C1-C8), benzyloxycarbonyle, C(O)NR8R9 ou C(O)R12, servant d'inhibiteurs de la glycogène phosphorylase, ainsi que des compositions pharmaceutiques contenant ces inhibiteurs. L'invention concerne également l'utilisation de ces inhibiteurs pour le traitement du diabète, de l'hyperglycémie, de l'hypercholestérolémie, de l'hypertension, de l'hyperinsulinémie, de l'hyperlipidémie, de l'athérosclérose et de l'ischème myocardiaque chez les mammifères.

  化合物的化学式为(1)，其中R6代表羧基、(C1-C8)烷氧羰基、苄氧羰基、C(O)NR8R9或C(O)R12，作为糖原磷酸化酶抑制剂，含有这种抑制剂的制药组合物以及使用这种抑制剂治疗哺乳动物的糖尿病、高血糖、高胆固醇血症、高血压、高胰岛素血症、高脂血症、动脉粥样硬化和心肌缺血的方法。
• Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2308851A1

  公开（公告）日：2011-04-13

  Compounds of formula as well as pharmaceutically acceptable salts and esters thereof, wherein R1 to R6 have the significance given in claim 1 can be used in the form of pharmaceutical compositions.

  式的化合物 及其药学上可接受的盐类和酯类，其中 R1 至 R6 具有权利要求 1 中给出的含义，可以药物组合物的形式使用。
• Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides
  申请人：PFIZER INC.

  公开号：EP1134213B1

  公开（公告）日：2005-11-02
• SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS
  申请人：PFIZER INC.

  公开号：EP0832065B1

  公开（公告）日：2001-10-10