DL-tryptophan ethyl ester | 6519-66-0

• 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
• 英文名称: DL-tryptophan ethyl ester
• 英文别名: tryptophan ethyl ester；tryptophane ethyl ester；Ethyl 2-amino-3-(1H-indol-3-yl)propanoate
• CAS: 6519-66-0；7479-05-2
• 化学式: C₁₃H₁₆N₂O₂
• mdl: MFCD00434161
• 分子量: 232.282
• InChiKey: DABYEOZXRSTEGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  68.1
• 氢给体数：
  2
• 氢受体数：
  3

SDS

Name:	Ethyl 2-amino-3-(1h-indol-3-yl)propanoate hydrochloride 97% Material Safety Data Sheet
Synonym:	L-Tryptophan ethyl ester hydrochlorid
CAS:	7479-05-2

Section 1 - Chemical Product MSDS Name:Ethyl 2-amino-3-(1h-indol-3-yl)propanoate hydrochloride 97% Material Safety Data Sheet
Synonym:L-Tryptophan ethyl ester hydrochlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7479-05-2	Ethyl 2-amino-3-(1H-indol-3-yl)propano	97%	231-285-1

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7479-05-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 218 deg C(decom)
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H17ClN2O2
Molecular Weight: 269

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Bases, strong oxidizing agents, acids.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7479-05-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-amino-3-(1H-indol-3-yl)propanoate, hydrochloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 7479-05-2: No information available.
Canada
CAS# 7479-05-2 is listed on Canada's NDSL List.
CAS# 7479-05-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7479-05-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  DL-tryptophan ethyl ester 在 camphor-10-sulfonic acid 作用下， 生成 D-色氨酸乙酯盐酸盐
  参考文献：
  名称：

  Resolution of tryptophane derivatives

  摘要：

  公开号：

  US02813876A1
• 作为产物：
  描述：

  ethyl α-(hydroxyimino)-β-(N-methylindol-3-yl)propanoate 在 乙醇 、 镍 作用下， 生成 DL-tryptophan ethyl ester
  参考文献：
  名称：

  Ratusky; Sorm, Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 467,472

  摘要：

  DOI：

文献信息

• [EN] ALKOXY BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION<br/>[FR] DÉRIVÉS BIS-HÉTÉROARYLIQUES D'ALCOXY UTILISÉS EN TANT QUE MODULATEURS DE L'AGRÉGATION DE PROTÉINES
  申请人：UCB BIOPHARMA SPRL

  公开号：WO2018138085A1

  公开（公告）日：2018-08-02

  The present invention relates to certain bis-heteroaryl compounds, pharmaceutical compositions containing them, and methods of using them, including methods for preventing, reversing, slowing, or inhibiting protein aggregation, and methods of treating diseases that are associated with protein aggregation, including neurodegenerative diseases such as Parkinson's disease, Alzheimer's disease, Lewy body disease, Parkinson's disease with dementia, fronto-temporal dementia, Huntington's Disease, amyotrophic lateral sclerosis, and multiple system atrophy, and cancer including melanoma.

  本发明涉及某些双杂环芳基化合物，含有它们的药物组合物，以及使用它们的方法，包括用于预防、逆转、减缓或抑制蛋白聚集的方法，以及治疗与蛋白聚集相关的疾病的方法，包括帕金森病、阿尔茨海默病、路易体病、帕金森病合并痴呆、额颞叶痴呆、亨廷顿病、肌萎缩侧索硬化和多系统萎缩等神经退行性疾病，以及包括黑色素瘤在内的癌症。
• Lavendamycin analogues and methods of synthesizing and using lavendamycin analogues
  申请人：Behforouz Mohammad

  公开号：US20060079497A1

  公开（公告）日：2006-04-13

  Lavendamycin analogues, methods for their synthesis, and methods for their use in the treatment of diseases such as cancer and HIV infection are described.

  Lavendamycin类似物，其合成方法，以及在治疗癌症和HIV感染等疾病中使用的方法被描述。
• Development of Small-Molecules Targeting Receptor Activator of Nuclear Factor-κB Ligand (RANKL)—Receptor Activator of Nuclear Factor-κB (RANK) Protein–Protein Interaction by Structure-Based Virtual Screening and Hit Optimization
  作者：Min Jiang、Lei Peng、Kai Yang、Tianqi Wang、Xueming Yan、Tao Jiang、Jianrong Xu、Jin Qi、Hanbing Zhou、Niandong Qian、Qi Zhou、Bo Chen、Xing Xu、Lianfu Deng、Chunhao Yang

  DOI：10.1021/acs.jmedchem.8b02027

  日期：2019.6.13

  been made to inhibit RANKL. For example, marketed monoclonal antibody drug Denosumab could inhibit the maturation of osteoclasts by binding to RANKL. This study is an original approach aimed at discovering small-molecule inhibitors impeding RANKL/RANK protein interaction. We identified compound 34 as a potent and selective RANKL/RANK inhibitor by performing structure-based virtual screening and hit optimization

  靶向RANKL / RANK提供了开发新颖的治疗方法来治疗骨代谢疾病的可能性。为了抑制RANKL已经做出了多种努力。例如，市售的单克隆抗体药物Denosumab可以通过与RANKL结合来抑制破骨细胞的成熟。这项研究是旨在发现阻碍RANKL / RANK蛋白相互作用的小分子抑制剂的原始方法。通过执行基于结构的虚拟筛选和命中优化，我们确定了化合物34为有效的选择性RANKL / RANK抑制剂。34对RANKL / RANK相互作用的破坏有效抑制了RANKL诱导的破骨细胞生成和骨吸收。破骨细胞标记基因的表达也受到34的抑制。此外，34显着阻断了NFATc1 / c-fos途径。因此，
• 一类DL-色氨酸类化合物、其制备方法及用途
  申请人：上海市伤骨科研究所

  公开号：CN111170923B

  公开（公告）日：2023-07-25

  本发明提供了一种通式I表示的DL‑色氨酸类化合物或其药学上可接受的盐，同时提供了其制备方法及用途，尤其是在制备RANKL抑制剂中的用途。本发明的DL‑色氨酸类化合物或其药学上可接受的盐可通过抑制RANKL‑RANK相互作用，对OPG‑RANKL‑RANK信号系统进行干预，调控破骨前体细胞中RANKL活性从而抑制破骨细胞的形成，减少骨吸收。本发明的DL‑色氨酸类化合物或其药学上可接受的盐有望起到防治骨代谢疾病的作用，为骨代谢疾病患者带来福音。
• MITHRAMYCIN OXIME AND HYDRAZINE DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY
  申请人：University of Kentucky Research Foundation

  公开号：US20200131218A1

  公开（公告）日：2020-04-30

  Compounds described herein are mithramycin (MTM) oxide (OX) derivatives and MTM Hydrazine (HY) derivatives. These compounds are useful for treatment of cancers and neuro-diseases.

  本文描述的化合物是米司雷霉素（MTM）氧化物（OX）衍生物和MTM肼（HY）衍生物。这些化合物对于治疗癌症和神经疾病非常有用。