4-叔丁氧羰基氨基-4-氨基甲酰基丁酸 | 18800-74-3

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - BOC-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: 4-叔丁氧羰基氨基-4-氨基甲酰基丁酸
• 中文别名: 2-(2-溴乙基)-1,3-二噁烷；2-(2-溴乙基)-1,3-二氧戊环
• 英文名称: (4S)-4-(N-tert-butoxycarbonylamino)-4-(carbamoyl)butanoic acid
• 英文别名: N-Boc-L-γ-isoglutamine；Boc-L-Glu-NH2；Boc-Glu-NH2；Boc-glutamic acid α-amide；(4S)-5-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-oxo-pentanoic acid；(4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
• CAS: 18800-74-3
• 化学式: C₁₀H₁₈N₂O₅
• mdl: MFCD00070081
• 分子量: 246.263
• InChiKey: GMZBDBBBJXGPIH-LURJTMIESA-N

物化性质

• 熔点：
  163-166 °C
• 沸点：
  495.3±40.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)
• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2924199090
• 储存条件：
  存于阴凉干燥处

SDS

Name:	BOC-L-Isoglutamine Material Safety Data Sheet
Synonym:	N-(tert-Butoxycarbonyl)-L-isoglutamin
CAS:	18800-74-3

Section 1 - Chemical Product MSDS Name:BOC-L-Isoglutamine Material Safety Data Sheet
Synonym:N-(tert-Butoxycarbonyl)-L-isoglutamin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18800-74-3	BOC-L-Isoglutamine		unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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 tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 18800-74-3: 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: Powder
Color: white
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: C10H18N2O5
Molecular Weight: 246.26

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
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# 18800-74-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
BOC-L-Isoglutamine - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 18800-74-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18800-74-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18800-74-3 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：

  4-叔丁氧羰基氨基-4-氨基甲酰基丁酸 在 盐酸 、 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 5.5h， 生成 L-γ-isoglutaminyl p-nitrophenyl ester
  参考文献：
  名称：

  使用活化的酯及其酰胺衍生物绘制大鼠肾脏γ-谷氨酰转肽酶活性位点的图谱。

  摘要：

  涉及许多生理过程的酶γ-谷氨酰转肽酶（GGT）催化γ-谷氨酰基从供体底物向酰基受体底物（通常是氨基酸或肽）的转移。为了研究供体底物的哪​​些部分对于通过GGT识别是必需的，对公认的底物L-γ-谷氨酰基-对硝基苯胺的结构进行了修饰。合成了几种活化的酯及其酰胺衍生物，并用作底物。测量了动力学（K（m）和V（max））和抑制常数（K（i）），结果表明，几乎整个γ-谷氨酰基部分对于识别供体底物的结合位点都是必需的。

  DOI：

  10.1016/s0968-0896(02)00165-7
• 作为产物：
  描述：

  N-叔丁氧羰基-L-谷氨酸 5-苄酯 、 氯甲酸乙酯 在 氨 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 4-叔丁氧羰基氨基-4-氨基甲酰基丁酸
  参考文献：
  名称：

  EP2543660

  摘要：

  公开号：

文献信息

• [EN] TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF<br/>[FR] CONJUGUÉS CIBLÉS, PARTICULES ET PRÉPARATIONS ASSOCIÉES
  申请人：TARVEDA THERAPEUTICS INC

  公开号：WO2017003940A1

  公开（公告）日：2017-01-05

  Nanoparticles and microparticles, and pharmaceutical formulations thereof, containing conjugates of an active agent such as maytansinoid attached to a targeting moiety, such as a somatostatin receptor binding moiety, via a linker have been designed. Such nanoparticles and microparticles can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided.

  纳米颗粒和微粒，以及其中含有活性药物的共轭物，例如连接到靶向基团（如生长抑素受体结合基团）的马替南素的共轭物已经被设计出来。这种纳米颗粒和微粒可以提供改善活性药物的时间空间传递和/或改善生物分布。提供了制备这些共轭物、颗粒和制剂的方法。提供了将这些制剂用于需要的受试者的方法。
• V1A RECEPTOR AGONISTS
  申请人：FERRING B.V.

  公开号：US20160122386A1

  公开（公告）日：2016-05-05

  Compounds of formula (I), salts thereof, and compositions and uses thereof are described. The compounds are useful as V1a vasopressin agonists, for the treatment of, e.g., complications of cirrhosis, including bacterial peritonitis, HRS2 and refractory ascites.

  公式（I）的化合物，其盐，以及其组合物和用途被描述。这些化合物可用作V1a加压素激动剂，用于治疗，例如，肝硬化并发症，包括细菌性腹膜炎，HRS2和难治性腹水。
• Triazolo&lsqb;4,5-D&rsqb;pyrimidinyl derivatives and their use as medicaments
  申请人：AstraZeneca AB

  公开号：US06297232B1

  公开（公告）日：2001-10-02

  The invention relates to triazolo[4,5-d]pyrimidin-3-yl derivatives which are useful in the treatment of platelet aggregation disorders.

  本发明涉及三唑并[4,5-d]嘧啶-3-基衍生物，该衍生物在治疗血小板聚集障碍方面具有用途。
• Conjugates for cancer therapy and diagnosis
  申请人：Gengrinovitch Stela

  公开号：US20070072800A1

  公开（公告）日：2007-03-29

  The present invention relates to conjugates of a drug and an amino acid or an amino acid derivative or analog, pharmaceutical compositions that include the conjugates and methods of use thereof. In particular, the present invention relates to conjugates of anti-proliferative drugs and asparagine and glutamine and analogs thereof as compositions for treatment of cancer, and conjugates of imaging agent carriers and amino acids for the diagnosis of tumors and metastases.

  本发明涉及药物与氨基酸或氨基酸衍生物或类似物的结合物、包括该结合物的药物组合物以及使用方法。具体来说，本发明涉及抗增殖药物与天冬氨酸、谷氨酸及其类似物的结合物作为治疗癌症的组合物，以及影像剂载体与氨基酸的结合物用于肿瘤和转移瘤的诊断。
• Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase
  作者：Thomas A. Kirkland、Marc Adler、John G. Bauman、Ming Chen、Jesper Z. Haeggström、Beverly King、Monica J. Kochanny、Amy M. Liang、Lisa Mendoza、Gary B. Phillips、Marjolein Thunnissen、Lan Trinh、Marc Whitlow、Bin Ye、Hong Ye、John Parkinson、William J. Guilford

  DOI：10.1016/j.bmc.2008.03.042

  日期：2008.5

  Leukotriene B(4) (LTB(4)) is a potent pro-inflammatory mediator that has been implicated in the pathogenesis of multiple diseases, including psoriasis, inflammatory bowel disease, multiple sclerosis and asthma. As a method to decrease the level of LTB(4) and possibly identify novel treatments, inhibitors of the LTB(4) biosynthetic enzyme, leukotriene A(4) hydrolase (LTA(4)-h), have been explored. Here

  白三烯B（4）（LTB（4））是一种有效的促炎介质，已与多种疾病的发病机制有关，包括牛皮癣，炎症性肠病，多发性硬化症和哮喘。作为降低LTB（4）水平并可能确定新疗法的方法，已探索了LTB（4）生物合成酶白三烯A（4）水解酶（LTA（4）-h）的抑制剂。在这里，我们从相应的甘氨酰胺2开始，描述了一种有效的LTA（4）-h抑制剂-谷氨酸4f的芳基酰胺的发现。然后介绍了4f的类似物，重点研究在全血中既有活性又稳定的化合物。这项工作最终确定了符合这些标准的氨基醇12a和氨基酯6b。