L-酪氨醇 | 5034-68-4

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 氨基醇类衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: L-酪氨醇
• 中文别名: L-酪氨醇盐酸盐
• 英文名称: 4-[(2S)-2-amino-3-hydroxypropyl]phenol
• 英文别名: L-tyrosinol；S-tyrosinol；tyrosinol；(1S)-1-(4-hydroxyphenylmethyl)-2-hydroxyethylamine
• CAS: 5034-68-4
• 化学式: C₉H₁₃NO₂
• mdl: MFCD00270223
• 分子量: 167.208
• InChiKey: DBLDQZASZZMNSL-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2922509090

SDS

Name:	L-Tyrosinol Material Safety Data Sheet
Synonym:	(S)--Amino-4-hydroxybenzenepropano
CAS:	5034-68-4

Section 1 - Chemical Product MSDS Name:L-Tyrosinol Material Safety Data Sheet
Synonym:(S)--Amino-4-hydroxybenzenepropano

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5034-68-4	L-Tyrosinol		unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Corrosives area.

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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# 5034-68-4: 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: slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 93 - 94 deg C
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: C9H13NO2
Molecular Weight: 167.21

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acids, acid chlorides, acid anhydrides, oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5034-68-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L-Tyrosinol - 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
Shipping Name: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 5034-68-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5034-68-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5034-68-4 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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  L-酪氨酸	L-tyrosine	60-18-4	C9H11NO3	181.191
  L-酪氨酸甲酯	L-Tyr-OMe	1080-06-4	C10H13NO3	195.218
  L-酪氨酸乙酯	L-tyrosine ethyl ester	949-67-7	C11H15NO3	209.245
  N-[(1S)-2-羟基-1-[(4-羟基苯基)甲基]乙基]-氨基甲酸1,1-二甲基乙基酯	N-Boc-L-tyrosinol	83345-46-4	C14H21NO4	267.325
  ——	(S)-1-Benzyloxymethyl-2-(4-benzyloxy-phenyl)-ethylamine	1026423-88-0	C23H25NO2	347.457

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  2-氨基-3-[4-(苄氧基)苯基]-1-丙醇	(S)-2-amino-3-(4-benzyloxyphenyl)-1-propanol	85803-44-7	C16H19NO2	257.332
  ——	N-propionyl-L-tyrosinol	126257-06-5	C12H17NO3	223.272
  ——	(S)-N-(1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl)isobutyramide	1513888-61-3	C13H19NO3	237.299
  ——	(S)-N-(1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl)pivalamide	1513888-62-4	C14H21NO3	251.326
  (S)-(-)-4-(4-羟基苄基)-2-噁唑烷酮	(S)-4-(4-hydroxybenzyl)oxazolidin-2-one	187332-12-3	C10H11NO3	193.202
  ——	N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-phenylpropanamide	87579-21-3	C18H21NO3	299.37
  N-[(1S)-2-羟基-1-[(4-羟基苯基)甲基]乙基]-氨基甲酸1,1-二甲基乙基酯	N-Boc-L-tyrosinol	83345-46-4	C14H21NO4	267.325
  ——	(S)-N-(1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl)nonanamide	1513888-65-7	C18H29NO3	307.433
  ——	(S)-8-hydroxy-N-(1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl)octanamide	1513888-67-9	C17H27NO4	309.406

反应信息

• 作为反应物：
  描述：

  L-酪氨醇 在 pcPAL 作用下， 生成 4-(3-羟基丙-1-烯基)苯酚
  参考文献：
  名称：

  Bartsch, Sebastian; Bornscheuer, Uwe T., Angewandte Chemie - International Edition, 2009, vol. 48, p. 3362 - 3365

  摘要：

  DOI：
• 作为产物：
  描述：

  L-酪氨酸 在 palladium on activated charcoal N-甲基吗啉 、 sodium hydroxide 、 sodium tetrahydroborate 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， -15.0~20.0 ℃ 、300.0 kPa 条件下， 反应 1.5h， 生成 L-酪氨醇
  参考文献：
  名称：

  Caplar, Vesna; Raza, Zlata; Katalenic, Darinka, Croatica Chemica Acta, 2003, vol. 76, # 1, p. 23 - 36

  摘要：

  DOI：

文献信息

• [EN] COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSITIONS DE COMPOSÉS SÉLÉNOORGANIQUES ET LEURS PROCÉDÉS D'UTILISATION CORRESPONDANTS
  申请人：ALLTECH INC

  公开号：WO2015137983A1

  公开（公告）日：2015-09-17

  The present application relates to compositions comprising selenium compounds, such as 5'-Methylselenoadenosine, Se-Adenosyl-L -homocysteine, Gamma- glutamyl-methylseleno-cysteine, a compound of formula (I), formula (II), a compound of formula (III) and combinations thereof, and methods of using the same in enhancing mitochondrial function, or treating mitochondrial dysfunction.

  本申请涉及包含硒化合物的组合物，例如5'-甲基硒腺苷、Se-腺苷基-L-同型半胱氨酸、γ-谷氨酰-甲硒氨基酸、式（I）的化合物、式（II）的化合物、式（III）的化合物以及它们的组合物，并且使用这些化合物来增强线粒体功能或治疗线粒体功能障碍的方法。
• Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents
  申请人：Bayer Corporation

  公开号：US06353006B1

  公开（公告）日：2002-03-05

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  这项发明涉及2-芳基亚胺杂环化合物，包括2-芳基亚胺-1,3-噻唑啉、2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪、2-芳基亚胺-1,3-噻唑啉-4-酮、2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这类治疗的药物组合物。
• AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS
  申请人：Allen Jennifer R.

  公开号：US20100160280A1

  公开（公告）日：2010-06-24

  Pyridine and pyrimidine compounds: or a pharmaceutically acceptable salt thereof, wherein m, n, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X 1 , X 2 , X 3 , X 4 , X 5 , X 6 , X 7 , X 8 , and Y are as defined in the specification; or a pharmaceutically acceptable salt thereof, wherein ring A, m, n, y, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , X 1 , X 2 , and ring A are as defined in the specification; and or a pharmaceutically acceptable salt thereof, wherein m, n, y, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 9 , X 1 , X 2 , and ring A are as defined in the specification; compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

  吡啶和嘧啶化合物： 或者是根据说明书中定义的药用可接受盐，其中m、n、R1、R2、R3、R4、R5、R6、R7、X1、X2、X3、X4、X5、X6、X7、X8和Y都有所定义； 或者是根据说明书中定义的药用可接受盐，其中环A、m、n、y、R2、R3、R4、R5、R6、R7、R8、R9、X1、X2和环A都有所定义； 或者是根据说明书中定义的药用可接受盐，其中m、n、y、R2、R3、R4、R5、R6、R7、R9、X1、X2和环A都有所定义；含有它们的组合物以及制备这类化合物的方法。还提供了通过抑制PDE10治疗可治疗的疾病或病症的方法，例如肥胖、非胰岛素依赖型糖尿病、精神分裂症、双相情感障碍、强迫症等。
• [EN] COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF<br/>[FR] COMPOSITIONS COMPRENANT DES PROMÉDICAMENTS OPIACÉS CLIVABLES PAR ENZYME ET LEURS INHIBITEURS
  申请人：PHARMACOFORE INC

  公开号：WO2011133149A1

  公开（公告）日：2011-10-27

  The present disclosure provides pharmaceutical compositions, and their methods of use, where the pharmaceutical compositions comprise a prodrug that provides enzymatically-controlled release of a drug and an enzyme inhibitor that interacts with the enzyme(s) that mediates the enzymatically-controlled release of the drug from the prodrug so as to attenuate enzymatic cleavage of the prodrug. The disclosure provides pharmaceutical compositions which comprise an enzyme inhibitor and a prodrug that contains an enzyme-cleavable moiety that, when cleaved, facilitates release of the drug.

  本公开提供了一种药物组合物及其使用方法，其中所述药物组合物包含一种前药，该前药能够提供通过酶控释放的药物，以及一种酶抑制剂，该酶抑制剂与介导从该前药酶控释放药物的酶相互作用，以减弱前药的酶裂解。本公开还提供了包含酶抑制剂和含酶可裂解基团的前药的药物组合物，所述酶可裂解基团在裂解时有助于药物的释放。
• [EN] COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF<br/>[FR] COMPOSITIONS COMPRENANT DES PROMÉDICAMENTS CLIVABLES PAR ENZYME DE PRINCIPES ACTIFS ET LEURS INHIBITEURS
  申请人：PHARMACOFORE INC

  公开号：WO2011133150A1

  公开（公告）日：2011-10-27

  The present disclosure provides pharmaceutical compositions, and their methods of use, where the pharmaceutical compositions comprise a prodrug that provides enzymatically-controlled release of a drug and an enzyme inhibitor that interacts with the enzyme(s) that mediates the enzymatically-controlled release of the drug from the prodrug so as to attenuate enzymatic cleavage of the prodrug. The disclosure provides pharmaceutical compositions which comprise an enzyme inhibitor and a prodrug that contains an enzyme-cleavable moiety that, when cleaved, facilitates release of the drug.

  本公开提供了一种药物组合物及其使用方法，其中所述药物组合物包含一种前药，该前药能够提供通过酶控释放的药物，以及一种酶抑制剂，该酶抑制剂与介导药物从该前药通过酶控释放的酶相互作用，以减弱前药的酶切。本公开还提供了一种包含酶抑制剂和前药的药物组合物，所述前药包含一个酶可切割的部分，切割后可促进药物的释放。