D-酪氨酸乙酯盐酸盐 | 23234-43-7

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 酪氨酸类衍生物
• 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: D-酪氨酸乙酯盐酸盐
• 英文名称: D-tyrosine ethyl ester hydrochloride
• 英文别名: ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
• CAS: 23234-43-7
• 化学式: C₁₁H₁₅NO₃*ClH
• 分子量: 245.706
• InChiKey: BQULAXAVRFIAHN-HNCPQSOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2922509090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	D-tyrosine ethyl ester hydrochloride Material Safety Data Sheet
Synonym:
CAS:	23234-43-7

Section 1 - Chemical Product MSDS Name:D-tyrosine ethyl ester hydrochloride Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
23234-43-7	D-tyrosine ethyl ester hydrochloride	100.0	245-506-4

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 23234-43-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C11H15NO3.HCl
Molecular Weight: 245.71

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 23234-43-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
D-tyrosine ethyl ester hydrochloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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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: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 23234-43-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 23234-43-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23234-43-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  D-酪氨酸乙酯盐酸盐 在 N-乙基吗啉 、 氨 、 氯甲酸异丁酯 作用下， 以 乙醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 生成 tert-butyloxycarbonyl-D-prolyl-D-tyrosine amide
  参考文献：
  名称：

  Molecular design, synthesis and neuroleptic activity of dipeptide analogs of sulpride

  摘要：

  DOI：

  10.1007/bf02464272
• 作为产物：
  描述：

  4-(2-methyl-2-phenylpropyloxy)aniline 在 palladium on activated charcoal copper(I) oxide 、 盐酸 、 sodium hydroxide 、 sodium azide 、 乙醚 、 水 、 氢气 、 三溴化硼 、 丙烯酸乙酯 、 sodium nitrite 作用下， 以 甲醇 、 二氯甲烷 、 水 、 二甲基亚砜 为溶剂， 反应 9.33h， 生成 D-酪氨酸乙酯盐酸盐
  参考文献：
  名称：

  Kawamatsu; Asakawa; Saraie, Arzneimittel-Forschung/Drug Research, 1980, vol. 30, # 5, p. 751 - 758

  摘要：

  DOI：

文献信息

• Design, Synthesis, and Cytotoxic Activity of 3‐Aryl‐ <i>N</i> ‐hydroxy‐2‐(sulfonamido)propanamides in HepG2, HT‐1080, KB, and MCF‐7 Cells
  作者：Duanyang Shao、Guo‐Ning Zhang、Weixiao Niu、Ziqiang Li、Mei Zhu、Juxian Wang、Donghui Li、Yucheng Wang

  DOI：10.1002/cbdv.201800646

  日期：2019.4

  cytotoxic activity against hepatocellular carcinoma (HepG2), fibrosarcoma (HT-1080), mouth epidermal carcinoma (KB), and breast adenocarcinoma (MCF-7) cell lines with the sulforhodamine B (SRB) assay, with gemcitabine and mitomycin C as positive controls. Most of these compounds exhibit a more potent cytotoxic effect than the positive control group on various cancer cell lines and the most potent compound,

  设计并合成了一系列新的（磺酰胺基）丙酰胺（6a1-6a13、6b1-6b15、7c1-7c5、6d1-6d5、6e1-6e6）。所有合成的化合物通过NMR和质谱进行表征。使用磺基若丹明B（SRB）分析评估了目标化合物对肝细胞癌（HepG2），纤维肉瘤（HT-1080），口腔表皮癌（KB）和乳腺腺癌（MCF-7）细胞系的体外细胞毒性活性，以吉西他滨和丝裂霉素C作为阳性对照。这些化合物中的大多数在各种癌细胞系上均比阳性对照组表现出更强的细胞毒性作用，而最有效的化合物6a7在HepG2中显示的IC50值为29.78±0.516μm，30.70±0.61μm和64.89±3.09μm。 ，HT-1080，KB和MCF-7细胞系。从而，
• The Synthesis and Anticancer Activities of Peptide 5-fluorouracil Derivatives
  作者：Xiaowei Yan、Maolin Hu、Qian Miao、Shun Wang、Kejian Zhao

  DOI：10.3184/030823409x431364

  日期：2009.4

  A new series of peptide 5-fluorouracil derivatives was designed and synthesised in order to test in vitro anticancer activities. The results indicated that peptide 5-fluorouracil derivatives possessed anticancer activities against human HL-60 and Bel-7402 cell lines. The structures of the compounds were determined by means of ¹H NMR, ¹³C NMR, IR, mass spectra and elemental analyses.

  为了测试体外抗癌活性，我们设计并合成了一系列新的多肽 5-氟尿嘧啶衍生物。结果表明，多肽 5-氟尿嘧啶衍生物对人类 HL-60 和 Bel-7402 细胞株具有抗癌活性。化合物的结构是通过 1H NMR、13C NMR、IR、质谱和元素分析确定的。
• Synthesis and Antitumor Activity of Amino Acid Ester Derivatives Containing 5-Fluorouracil
  作者：Jing Xiong、Hai-Feng Zhu、Ya-Juan Zhao、Yun-Jun Lan、Ji-Wang Jiang、Jing-Jing Yang、Shu-Feng Zhang

  DOI：10.3390/molecules14093142

  日期：——

  A series of amino acid ester derivatives containing 5-fluorouracil were synthesized using 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (EDC·HCl) and N-hydroxybenzotriazole (HOBt) as a coupling agent. The structures of the products were assigned by NMR, MS, IR etc. The in vitro antitumor activity tests against leukaemia HL-60 and liver cancer BEL-7402 indicated that (R)-ethyl 2-(2-(5-fluoro-2

  以1-乙基-3-(3-二甲基氨基丙基)碳二亚胺盐酸盐(EDC·HCl)和N-羟基苯并三唑(HOBt)为偶联剂合成了一系列含5-氟尿嘧啶的氨基酸酯衍生物。产物的结构经NMR、MS、IR等鉴定。体外对白血病HL-60和肝癌BEL-7402的抗肿瘤活性试验表明(R)-乙基2-(2-(5-氟-2 ,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)-3-(4-hydroxyphenyl)propanoate 对 BEL-7402 的抑制作用比 5-FU 更强。
• N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF
  申请人：Shi Jiangong

  公开号：US20130045942A1

  公开（公告）日：2013-02-21

  The present invention provides N 6 -substituted adenosine derivatives and N 6 -substituted adenine derivatives, manufacturing methods thereof, a pharmaceutical composition comprising the said compounds above, and uses of these compounds in manufacturing medicaments and health-care products for treating insomnia, convulsion, epilepsy, and Parkinson's diseases, and preventing and treating dementia.

  本发明提供了N6-取代腺苷衍生物和N6-取代腺嘌呤衍生物，其制备方法，包括上述化合物的药物组合物，以及这些化合物在制造治疗失眠、惊厥、癫痫和帕金森病的药物和保健产品以及预防和治疗痴呆症中的用途。
• Ｎ６−置換アデノシン誘導体とＮ６−置換アデニン誘導体の鎮静、催眠、抗うつ、抗痙攣、抗てんかん、抗パーキンソン病と認知証予防・治療の用途
  申请人：中国医学科学院葯物研究所

  公开号：JP2015172077A

  公开（公告）日：2015-10-01

  【課題】鎮痛剤、催眠、抗痙攣薬、抗てんかん薬、抗パーキンソン病や認知症予防薬や健康食品の調整を行うこと。【解決手段】特定の化合物のグループから選択されることを特徴とする、Ｎ６−置換アデノシン誘導体またはＮ６−置換アデニン誘導体。 また、治療上有効な量の上記化合物と、薬学的に許容される担体とを少なくとも含有することを特徴とする、医薬組成物。 さらに、鎮痛剤、催眠、抗痙攣薬、抗てんかん薬、抗パーキンソン病や認知症予防薬や健康食品の調整において使用されることを特徴とする、上記化合物。【選択図】なし

  该专利涉及调整止痛药、催眠药、抗痉挛药、抗癫痫药、抗帕金森病和认知症预防药以及健康食品的组合。解决方案特点在于选择自特定化合物组中的N6-取代腺苷诱导体或N6-取代腺嘌呤诱导体。此外，医药组合物特点在于至少包含治疗有效量的上述化合物和药学上可接受的载体。进一步，该化合物特点在于用于调整止痛药、催眠药、抗痉挛药、抗癫痫药、抗帕金森病和认知症预防药以及健康食品。【选择图】无