3-(2-萘基)-L-丙氨酸盐酸盐 | 122745-12-4

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 丙氨酸类衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 3-(2-萘基)-L-丙氨酸盐酸盐
• 中文别名: (S)-Α-氨基-2-萘丙酸盐酸盐；3-(2-萘基)-L-丙氨酸；(S)-2-氨基-3-(2-萘基)丙酸盐酸盐；(S)-α-氨基-2-萘丙酸盐酸盐；(S)-2-萘丙氨酸盐酸盐；L-3-(2-萘基)-丙氨酸盐酸盐
• 英文名称: L-3-(naphthalen-2-yl)alanine hydrochloride
• 英文别名: L-2-naphthyl-Ala-OH*HCl；L-3-(2-naphthyl)alanine hydrochloride；3-(2-Naphthyl)-L-alanine Hydrochloride；(2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
• CAS: 122745-12-4
• 化学式: C₁₃H₁₃NO₂*ClH
• 分子量: 251.713
• InChiKey: QXEYSNIVQNSZGX-YDALLXLXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.22
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  63.3
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 3-(2-Naphthyl)-L-alanine Hydrochloride
Portland OR
Synonym 2-Naphthalenepropanoic acid, α-amino-M hydrochloride
(9 CI)
C13H13NO2•HCl
Chemical Formula
CAS Number 122745-12-4

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
3-(2-Naphthyl)-L-alanine Hydrochloride 122745-12-4 ---------- Not available. Not available.

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin Contact
In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
Inhalation If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
toxic material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Auto-Ignition Not available.
Flammability May be combustible at high temperature.
Flash Points Flammable Limits Not available.
Not available.
Combustion Products These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2). halogenated compounds
WARNING: Highly toxic HCl gas is produced during combustion.
Fire Hazards
Not available.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
3-(2-Naphthyl)-L-alanine Hydrochloride

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Section VI. Accidental Release Measures
Spill Cleanup Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
Instructions contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.

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Section VII. Handling and Storage
Handling and Storage Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult
a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Solid. (Light Yellow, Crystals.) Solubility
Physical state @ 20°C Not available.
Not available.
Specific Gravity
Molecular Weight 251.71 Partition Coefficient Not available.
Boiling Point
Not available. Vapor Pressure Not applicable.
Melting Point Not available. Vapor Density Not available.
Refractive Index Not available. Volatility Not available.
Critical Temperature Not available. Odor Not available.
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
RTECS Number Not available.
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Toxicity Data Not available.
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Continued on Next Page
3-(2-Naphthyl)-L-alanine Hydrochloride

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Section XII. Ecological Information
Ecotoxicity Not available.
Environmental Fate Not available.

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number Not applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not available.
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-(2-萘基)-L-丙氨酸盐酸盐 在 dimethyl sulfide borane 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到(S)-2-amino-3-(naphthalen-2-yl)propan-1-ol
  参考文献：
  名称：

  对映选择性 LaIII-pyBOX 催化硝基迈克尔加成到 (E)-2-氮杂查耳酮

  摘要：

  [La(OTf)3] 复合物与新的 pyBOX 配体在恶唑啉环的 4'-位带有庞大的 1-萘甲基取代基，催化硝基烷烃与广泛范围的 (E)-2-氮杂查耳酮共轭加成，提供预期的硝基迈克尔产品，产率良好，对映体过量高达 87%。通过单次结晶可以提高产品的光学纯度。已经提出了一个合理的立体化学模型来解释观察到的立体化学。

  DOI：

  10.1002/ejoc.201201579
• 作为产物：
  描述：

  2-Acetamido-3-ethoxy-2-(naphthalen-2-ylmethyl)-3-oxopropanoic acid 在 盐酸 、 sodium hydroxide 、 potassium chloride 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 10.0h， 生成 3-(2-萘基)-L-丙氨酸盐酸盐
  参考文献：
  名称：

  高对映选择性手性NADH模型的手性助剂性质的变化

  摘要：

  多种手性氨基醇已被用作高对映选择性NADH模型的手性助剂。其中一些是通过酶拆分方法获得的新试剂。

  DOI：

  10.1016/s0957-4166(00)80371-7

文献信息

• [EN] METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR<br/>[FR] PROCÉDÉ DE MODULATION DE L'ACTIVITÉ DU RÉCEPTEUR MC1 ET TRAITEMENT DES CONDITIONS ASSOCIÉES AU DIT RÉCEPTEUR
  申请人：MIMETICA PTY LTD

  公开号：WO2010096853A1

  公开（公告）日：2010-09-02

  The present invention provides compounds of Formula (I) that are useful for binding and/or modulating the biological activity of the melanocortin-1 receptor (MC1R). Compounds of this invention can be used to treat diseases and/or conditions in which modulation of MC1R is beneficial. Such diseases and/or conditions include, but are not limited to, hyperpigmentation (including melasma), hypopigmentation (including vitiligo), melanoma, basal cell carcinoma, squamous cell carcinoma, erythropoietic protoporphyria, polymorphous light eruption, solar urticaria, photosensitivity, sunburn, inflammatory diseases, aberrant fibroblast activity and pain.

  本发明提供了一种具有式（I）的化合物，该化合物对结合和/或调节黑色素皮质素-1受体（MC1R）的生物活性是有用的。本发明的化合物可用于治疗调节MC1R有益的疾病和/或症状。这些疾病和/或症状包括但不限于，色素沉着过多（包括雀斑），色素沉着不足（包括白癜风），黑色素瘤，基底细胞癌，鳞状细胞癌，红细胞生成性原卟啉症，多形性光疹，太阳性荨麻疹，光敏性，晒伤，炎症性疾病，异常成纤维细胞活动和疼痛。
• [EN] METHODS OF MODULATING THE ACTIVITY OF THE MC3 AND/OR MC4 RECEPTORS AND TREATMENT OF CONDITIONS RELATED TO THESE RECEPTORS<br/>[FR] PROCÉDÉS DE MODULATION DE L'ACTIVITÉ DES RÉCEPTEURS MC3 ET/OU MC4 ET TRAITEMENT DES CONDITIONS ASSOCIÉES AUX DITS RÉCEPTEURS
  申请人：MIMETICA PTY LTD

  公开号：WO2010096854A1

  公开（公告）日：2010-09-02

  The present invention provides compounds of Formula (I) that are useful for modulating the biological activity of the melanocortin-3 receptor (MC3R) and / or the melanocortin-4 receptor (MC4R). Compounds of this invention can be used to treat diseases and/or conditions in which modulation of MC3R and / or MC4R is beneficial. Such diseases and/or conditions include, but are not limited to, obesity, eating disorders (such as cachexia, anorexia, weight gain, weight loss), metabolic syndrome, diabetes, sexual dysfunction (such as erectile dysfunction and female sexual dysfunction), anxiety, depression, inflammation, addiction and alcohol intake.

  本发明提供了一种化合物，其化学式为（I），可用于调节黑色素皮质素-3受体（MC3R）和/或黑色素皮质素-4受体（MC4R）的生物活性。本发明的化合物可用于治疗调节MC3R和/或MC4R有益的疾病和/或症状。这些疾病和/或症状包括但不限于肥胖、进食障碍（如虚弱、厌食、体重增加、体重减少）、代谢综合征、糖尿病、性功能障碍（如勃起功能障碍和女性性功能障碍）、焦虑、抑郁、炎症、成瘾和饮酒。
• METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR
  申请人：Blaskovich Mark Arnold Thomas

  公开号：US20120141392A1

  公开（公告）日：2012-06-07

  The present invention provides compounds of Formula (I) that are useful for binding and/or modulating the biological activity of the melanocortin-1 receptor (MC1R). Compounds of this invention can be used to treat diseases and/or conditions in which modulation of MC1R is beneficial. Such diseases and/or conditions include, but are not limited to, hyperpigmentation (including melasma), hypopigmentation (including vitiligo), melanoma, basal cell carcinoma, squamous cell carcinoma, erythropoietic protoporphyria, polymorphous light eruption, solar urticaria, photosensitivity, sunburn, inflammatory diseases, aberrant fibroblast activity and pain.

  本发明提供了一种化合物，其化学式为（I），可用于结合和/或调节黑色素皮质激素受体（MC1R）的生物活性。本发明的化合物可用于治疗调节MC1R有益的疾病和/或症状。这些疾病和/或症状包括但不限于，色素沉着过多（包括雀斑），色素沉着不足（包括白癜风），黑色素瘤，基底细胞癌，鳞状细胞癌，红细胞生成性原卟啉症，多形性光疹，太阳性荨麻疹，光敏性，晒伤，炎症性疾病，异常成纤维细胞活性和疼痛。
• 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS
  申请人：Blaskovich Mark Arnold Thomas

  公开号：US20090221557A1

  公开（公告）日：2009-09-03

  The present invention provides compounds of Formula (I) that are useful for modulating the biological activity of the melanocortin-5 receptor (MC5R). Compounds of this invention can be used to treat diseases and/or conditions in which downregulation of MC5R is beneficial. Such diseases and/or conditions include, but are not limited to, acne, seborrhea, seborrheic dermatitis, cancer, and inflammatory diseases.

  本发明提供了一种公式（I）的化合物，该化合物对调节黑色素皮质素-5受体（MC5R）的生物活性有用。本发明的化合物可用于治疗下调MC5R有益的疾病和/或症状。这些疾病和/或症状包括但不限于痤疮、脂溢性皮炎、皮肤癌和炎症性疾病。
• Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis
  申请人：——

  公开号：US20030229024A1

  公开（公告）日：2003-12-11

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及一种抑制&bgr;-淀粉样肽释放和/或合成的化合物，因此具有治疗阿尔茨海默病的用途。还公开了药物组合物，包括抑制&bgr;-淀粉样肽释放和/或合成的化合物，以及使用这样的药物组合物进行预防和治疗阿尔茨海默病的方法。