(S)-2-azido glutaric acid-5-tert-butyl ester | 114519-06-1

• 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: (S)-2-azido glutaric acid-5-tert-butyl ester
• 英文别名: 2-azido-pentanedioic acid 5-tert-butyl ester；mono-t-butyl L-azidoglutarate；(2S)-2-azido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
• CAS: 114519-06-1
• 化学式: C₉H₁₅N₃O₄
• 分子量: 229.236
• InChiKey: DHEKPGJJDAHOLO-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  78
• 氢给体数：
  1
• 氢受体数：
  6

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : (S)-5-tert-Butyl hydrogen 2-azidoglutarate
(dicyclohexylammonium) salt

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
This substance is not classified as dangerous according to Directive 67/548/EEC.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C9H15N3O4 · C12H23N
Molecular Weight : 410,55 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature: 2 - 8 °C
Recommended storage temperature: 2 - 8 °C
Keep in a dry place. Keep in a dry place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 138 - 142 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (S)-2-azido glutaric acid-5-tert-butyl ester 在 platinum(IV) oxide 氢气 、 三氟乙酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 L-谷氨酸
  参考文献：
  名称：

  硼酸酯直接手性合成氨基酸

  摘要：

  将（s）-pin二醇（1S）-1-卤代烷基硼酸酯转化为（1R）-1-叠氮基硼酸酯，与（二氯甲基）锂同化为1-氯-2-叠氮基硼酸酯，用亚氯酸钠氧化为α-叠氮酸，并且催化氢化产生L-氨基酸，对映体过量为92-96％。

  DOI：

  10.1016/s0040-4039(00)96547-x
• 作为产物：
  描述：

  (S)-2-azido glutaric acid-5-tert-butyl ester (dicyclohexylammonium) salt 在 磷酸 、 水 、 Brine 作用下， 以 乙酸乙酯 为溶剂， 以to provide (S)-2-azido-glutaric acid 5-tert-butyl ester (100 mg, 435 μmol)的产率得到(S)-2-azido glutaric acid-5-tert-butyl ester
  参考文献：
  名称：

  CONJUGATES OF SOMATOSTATIN ANALOGUES

  摘要：

  本发明揭示了用于控制生物半衰期的生物载体和水凝胶的共轭体，用于索马托斯汀及其类似物。

  公开号：

  US20160271227A1

文献信息

• [EN] CONJUGATES OF SOMATOSTATIN AND ITS ANALOGS<br/>[FR] CONJUGUÉS DE SOMATOSTATINE ET DE SES ANALOGUES
  申请人：PROLYNX LLC

  公开号：WO2015061503A1

  公开（公告）日：2015-04-30

  Conjugates of carriers and hydrogels for controlling the biological half-life of somatostatin and its analogs are disclosed.

  载体和水凝胶的共轭物用于控制生长抑素及其类似物的生物半衰期。
• Conjugates of somatostatin analogues
  申请人：ProLynx LLC

  公开号：US10086049B2

  公开（公告）日：2018-10-02

  Conjugates of carriers and hydrogels for controlling the biological half-life of somatostatin and its analogs are disclosed.

  本研究公开了用于控制体生长抑素及其类似物生物半衰期的载体和水凝胶共轭物。
• Stabilized minimal coiled-coil mimetics
  申请人：NEW YORK UNIVERSITY

  公开号：US10851133B2

  公开（公告）日：2020-12-01

  This invention relates to a macrostructure that includes an antiparallel coiled-coil structure shown below or a parallel coiled-coil structure shown below and described in the present application.

  本发明涉及一种宏观结构，它包括下图所示的反平行盘卷结构或下图所示的平行盘卷结构，并在本申请中进行了描述。
• Synthesis of chemically functionalized superparamagnetic nanoparticles as delivery vectors for chemotherapeutic drugs
  作者：Stephen Hanessian、Justyna A. Grzyb、Feride Cengelli、Lucienne Juillerat-Jeanneret

  DOI：10.1016/j.bmc.2007.12.051

  日期：2008.3.15

  Superparamagnetic iron oxide nanoparticles (SPIONs) are in clinical use for disease detection by MRI. A major advancement would be to link therapeutic drugs to SPIONs in order to achieve targeted drug delivery combined with detection. In the present work, we studied the possibility of developing a versatile synthesis protocol to hierarchically construct drug-functionalized-SPIONs as potential anti-cancer agents. Our model biocompatible SPIONs consisted of an iron oxide core (9-10 nm diameter) coated with polyvinylalcohols (PVA/aminoPVA), which can be internalized by cancer cells, depending on the positive charges at their surface. To develop drug-functionalized-aminoPVA-SPIONs as vectors for drug delivery, we first designed and synthesized bifunctional linkers of varied length and chemical composition to which the anti-cancer drugs 5-fluorouridine or doxorubicin were attached as biologically labile esters or peptides, respectively. These functionalized linkers were in turn coupled to aminoPVA by amide linkages before preparing the drug-functionalized-SPIONs that were characterized and evaluated as anti-cancer agents using human melanoma cells in culture. The 5-fluorouridine-SPIONs with an optimized ester linker were taken up by cells and proved to be efficient anti-tumor agents. While the doxorubicin-SPIONs linked with a Gly-Phe-Leu-Gly tetrapeptide were cleaved by lysosomal enzymes, they exhibited poor uptake by human melanoma cells in culture. (C) 2008 Elsevier Ltd. All rights reserved.
• MATTESON, DONALD S.;BEEDLE, ELLEN C., TETRAHEDRON LETT., 28,(1987) N 39, 4499-4502
  作者：MATTESON, DONALD S.、BEEDLE, ELLEN C.

  DOI：——

  日期：——