(S)-(+)-2-氨基-3-羟基-3-甲基丁酸 | 2280-27-5

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - α-氨基酸
• 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: (S)-(+)-2-氨基-3-羟基-3-甲基丁酸
• 中文别名: L-BATE-羟基缬氨酸；L(+)-beta-羟基缬氨酸；(S)-2-氨基-3-羟基-3-甲基丁酸
• 英文名称: (S)-2-amino-3-hydroxy-3-methylbutanoic acid
• 英文别名: 3-hydroxy-L-valine；(2S)-2-azaniumyl-3-hydroxy-3-methylbutanoate
• CAS: 2280-27-5
• 化学式: C₅H₁₁NO₃
• mdl: MFCD00800535
• 分子量: 133.147
• InChiKey: LDRFQSZFVGJGGP-GSVOUGTGSA-N

物化性质

• 熔点：
  205 °C
• 比旋光度：
  -11.75 º (c=2, 6N HCl 25 ºC)
• 沸点：
  148.88°C (rough estimate)
• 密度：
  1.0818
• 稳定性/保质期：

  避免与不相容材料、湿空气和水接触。与强氧化剂反应。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  83.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2922509090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  密封储存于阴凉、干燥的库房，并避免阳光直射。

SDS

Name:	(S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid Material Safety Data Sheet
Synonym:	L-(+)-Hydroxyvaline
CAS:	2280-27-5

Section 1 - Chemical Product MSDS Name:(S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid Material Safety Data Sheet
Synonym:L-(+)-Hydroxyvaline

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2280-27-5	3-Hydroxy-L-valine	98	unlisted

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:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. 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. Wash clothing before reuse.
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 water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid generating dusty conditions. Provide ventilation.

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

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2280-27-5: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 201-203 deg C (dec)
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: 201-203 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H11NO3
Molecular Weight: 133.15

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Dust generation, moisture, excess heat.
Incompatibilities with Other Materials:
Strong 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# 2280-27-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Hydroxy-L-valine - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2280-27-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2280-27-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2280-27-5 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：

  (S)-(+)-2-氨基-3-羟基-3-甲基丁酸 以0.55 g (74%)的产率得到(S)-3-羟基-2-(甲氧基羰基氨基)-3-甲基丁酸
  参考文献：
  名称：

  Anti-Viral Compounds

  摘要：

  本发明描述了在抑制丙型肝炎病毒("HCV")复制方面有效的化合物。这项发明还涉及到制造这类化合物的过程、包含这类化合物的组合物，以及使用这类化合物治疗HCV感染的方法。

  公开号：

  US20100267634A1
• 作为产物：
  描述：

  D-青霉胺 在 hydroxide 、 氧气 作用下， 以 水 为溶剂， 生成 (S)-(+)-2-氨基-3-羟基-3-甲基丁酸
  参考文献：
  名称：

  γ-Radiolysis of disulfides in aqueous solution. II. D-Penicillamine disulfide

  摘要：

  D-青霉胺二硫化物（PenSSPen）在3×10⁻⁴ M水溶液中的γ-辐解在通气和脱气条件下进行了研究。对以下产物确定了G值：青霉胺亚砜酸（PenSO₂H）、青霉胺酸（PenSO₃H）、β-羟基缬氨酸（PenOH）、2-氨基-3-甲基丁-3-烯酸（HOOC•CH(NH₂)•C(CH₃)=CH₂）、青霉胺（PenSH）、青霉胺二硫化物-S-一氧化物（PenS(O)SPen）、缬氨酸（PenH）、青霉胺三硫化物（PenSSSPen）和氨。在通气溶液中PenSO₃H的低产率表明PenSOH没有与氧气或O₂⁻反应。高产率得到的三硫化物主要来自以下反应：[Formula: see text]。用•OH自由基（TiCl₃/H₂O₂）产生的化学实验和存在半胱氨酸或青霉胺的辐照用于确认这些反应。这些以及其他反应经过了自由基清除剂的测试；甲酸盐和单氯乙酸盐以及一氧化氮。

  DOI：

  10.1139/v69-162

文献信息

• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2010138488A1

  公开（公告）日：2010-12-02

  This disclosure concerns novel compounds of Formula (I) as defined in the specification and compositions comprising such novel compounds. These compounds are useful antiviral agents, especially in inhibiting the function of the NS5A protein encoded by Hepatitis C virus (HCV). Thus, the disclosure also concerns a method of treating HCV related diseases or conditions by use of these novel compounds or a composition comprising such novel compounds.

  本公开涉及规范中定义的Formula (I)的新化合物以及包含这些新化合物的组合物。这些化合物是有用的抗病毒剂，特别是在抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白的功能方面。因此，本公开还涉及通过使用这些新化合物或包含这些新化合物的组合物来治疗HCV相关疾病或症状的方法。
• [EN] AMINO QUINOLINE DERIVATIVES INHIBITORS OF HCV<br/>[FR] DÉRIVÉS D'AMINO-QUINOLÉINE INHIBITEURS DE VHC
  申请人：GILEAD SCIENCES INC

  公开号：WO2013090929A1

  公开（公告）日：2013-06-20

  A compound of Formula I: or a pharmaceutically acceptable salt thereof, wherein the substituents are defined herein, and methods of treating HCV infection in a patient are disclosed.

  一种化合物的化学式I：或其药用可接受的盐，其中取代基在此定义，并公开了治疗患者HCV感染的方法。
• Hepatitis C Virus Inhibitors
  申请人：Bachand Carol

  公开号：US20090233925A1

  公开（公告）日：2009-09-17

  The present disclosure relates to compounds, compositions and methods for the treatment of hepatitis C virus (HCV) infection. Also disclosed are pharmaceutical compositions containing such compounds and methods for using these compounds in the treatment of HCV infection.

  本公开涉及化合物、组合物和治疗丙型肝炎病毒（HCV）感染的方法。还公开了含有这些化合物的药物组合物以及在治疗HCV感染中使用这些化合物的方法。
• DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS
  申请人：SUNSHINE LAKE PHARMA CO., LTD.

  公开号：US20150152096A1

  公开（公告）日：2015-06-04

  Provided herein are dihydropyrimidine compounds and their pharmaceutical applications, especially for use in treating and preventing HBV diseases. Specifically, provided herein are compounds having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof, wherein the variables of the formulas are as defined in the specification. Also provided herein is the use of the compounds having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof for treating and preventing HBV diseases.

  本文提供了二氢嘧啶化合物及其药物应用，特别用于治疗和预防HBV疾病。具体来说，本文提供了具有化学式（I）或（Ia）的化合物，或其对映体、二对映异构体、互变异构体、水合物、溶剂合物或其药学上可接受的盐，其中化学式的变量如规范中所定义。本文还提供了利用具有化学式（I）或（Ia）的化合物，或其对映体、二对映异构体、互变异构体、水合物、溶剂合物或其药学上可接受的盐来治疗和预防HBV疾病。
• [EN] UREA DERIVATIVES AS ANTIBACTERIAL AGENTS<br/>[FR] DÉRIVÉS D'URÉE EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：SCHERING CORP

  公开号：WO2010017060A1

  公开（公告）日：2010-02-11

  This invention relates to compounds of the Formula (I):or a pharmaceutically acceptable salt, solvate, ester or isomer thereof, which is useful for the treatment of diseases or conditions mediated by LpxC.

  这项发明涉及以下化合物的结构（I）：或其药用盐、溶剂合物、酯或异构体，用于治疗由LpxC介导的疾病或症状。