HCl*HLeuGlyNH2 | 38173-66-9

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 亮氨酸类衍生物
• 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
• 英文名称: HCl*HLeuGlyNH2
• 英文别名: (S)-2-Amino-N-(2-amino-2-oxoethyl)-4-methylpentanamide hydrochloride；(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methylpentanamide;hydrochloride
• CAS: 38173-66-9
• 化学式: C₈H₁₇N₃O₂*ClH
• 分子量: 223.703
• InChiKey: KYTGIFFOKKUBSP-RGMNGODLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.62
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  98.2
• 氢给体数：
  4
• 氢受体数：
  3

安全信息

• WGK Germany：
  3

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Gly-Leu amide hydrochloride
CAS-No. : 38173-66-9
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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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 : C8H17N3O2 · HCl
Molecular Weight : 223,7 g/mol
Component Concentration
Gly-Leu amide hydrochloride
CAS-No. 38173-66-9 -

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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. FIRE-FIGHTING 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), Hydrogen chloride gas
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: -20 °C
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: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
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
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
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. OTHER INFORMATION
Further information
Copyright 2011 Co. License granted to make unlimited paper copies for internal use only.
The above information is believed to be correct but does not purport to be all inclusive and shall be used
only as a guide. The information in this document is based on the present state of our knowledge and is
applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Co., shall not be held liable for any damage
resulting from handling or from contact with the above product. See reverse side of invoice or packing slip
for additional terms and conditions of sale.

制备方法与用途

参考质量标准如下：

• 外观性状：白色粉末
• 纯度（HPLC）：≥98.0%
• 醋酸根含量：≤12.0%
• 水分含量：≤8.0%
• 肽含量：≥80.0%
• 内毒素：≤50EU/mg
• 氨基酸组成分析：≤±10%

反应信息

• 作为反应物：
  描述：

  HCl*HLeuGlyNH2 在 N-甲基吗啉 、 盐酸 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.92h， 生成 L-piperidine-2-carbonyl-L-leucylglycinamide hydrochloride
  参考文献：
  名称：

  Synthesis of Pro-Leu-Gly-NH2 analogs modified at the prolyl residue and evaluation of their effects on the receptor binding activity of the central dopamine receptor agonist, ADTN

  摘要：

  Several analogues of L-prolyl-L-leucylglycinamide (PLG) were synthesized wherein the prolyl residue was replaced with other heterocyclic amino acid residues. Among the analogues synthesized were D-Pro-Leu-Gly-NH2 (2), less than Glu-Leu-Gly-NH2 (3), Thz-Leu-Gly-NH2 (4), Pip-Leu-Gly-NH2 (5), Aze-Leu-Gly-NH2 (6), L-delta 3,4-Pro-Leu-Gly-NH2 (7), and D-delta 3,4-Pro-Leu-Gly-NH2 (8). These analogues were tested for their ability to enhance the binding of the agonist 2-amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene to central dopamine receptors. Analogues 2, 3, and 5-7 showed activity comparable to that of PLG, while the tripeptides 4 and 8 were found to be inactive. The results show that the N-terminal prolyl residue of PLG is not an essential requirement for this tripeptide's ability to modulate dopamine receptors.

  DOI：

  10.1021/jm00160a052
• 作为产物：
  描述：

  Boc-Leu-Gly-NH2 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.67h， 以100%的产率得到HCl*HLeuGlyNH2
  参考文献：
  名称：

  含有对映体（S）-α-三氟甲基脯氨酸的MIF-1类似物的合成及伤害感受的生物学评价

  摘要：

  据报道在大鼠模型中新型MIF-1类似物的合成及其在急性疼痛过程中对伤害感受的作用。该对映体纯的含三氟甲基的三肽的合成是通过HCl之间的肽偶联反应进行的。Leu-Gly-NH 2和（S）-α-Tfm-脯氨酸。CF 3-（MIF-1）2的镇痛作用已通过爪压（PP）和热板（HP）测试在大鼠模型上进行了体内评估，并与天然肽MIF-1进行了比较。CF 3-（MIF-1）2的镇痛效果最高仅在PP测试中。为了研究由所研究的肽诱导的伤害感受的机制，研究了阿片样物质和一氧化氮能系统的参与。结果表明，自从在注射CF 3-（MIF-1）2之前20分钟使用鸦片受体纳洛酮的非竞争性拮抗剂一氧化氮合酶（NOS）抑制剂l进行预处理以来，这两个系统都参与其中。-N G-硝基精氨酸酯（l -NAME）或一氧化氮（NO）供体l-精氨酸（l -Arg）在PP和HP测试中显着降低了疼痛感。

  DOI：

  10.1016/j.ejmech.2012.12.041

文献信息

• Trifluoromethylated proline analogues as efficient tools to enhance the hydrophobicity and to promote passive diffusion transport of the <scp>l</scp>-prolyl-<scp>l</scp>-leucyl glycinamide (PLG) tripeptide
  作者：Martin Oliver、Charlène Gadais、Júlia García-Pindado、Meritxell Teixidó、Nathalie Lensen、Grégory Chaume、Thierry Brigaud

  DOI：10.1039/c8ra02511h

  日期：——

  The incorporation of trifluoromethylated proline analogues in the tripeptide PLG enhances its hydrophobicity and promotes passive diffusion transport.

  三氟甲基丙氨酸类似物的引入增强了三肽PLG的疏水性并促进了被动扩散传输。
• Synthesis of the amide of the C-terminal tetrapeptide of the sequence of oxytocin
  作者：A. K. Ivanov、A. A. Antonov、I. A. Donetskii

  DOI：10.1007/bf00630256

  日期：1992.5
• Studies on amino acids and peptides-V
  作者：M. Thorsen、B. Yde、U. Pedersen、K. Clauden、S.-O. Lawesson

  DOI：10.1016/s0040-4020(01)91596-0

  日期：1983.1
• US4041023A
  申请人：——

  公开号：US4041023A

  公开（公告）日：1977-08-09
• Synthesis of an MIF-1 analogue containing enantiopure ( S )-α-trifluoromethyl-proline and biological evaluation on nociception
  作者：Ibtissem Jlalia、Nathalie Lensen、Grégory Chaume、Elena Dzhambazova、Liountmila Astasidi、Radka Hadjiolova、Adriana Bocheva、Thierry Brigaud

  DOI：10.1016/j.ejmech.2012.12.041

  日期：2013.4

  The synthesis and the effect of a novel MIF-1 analogue on nociception during acute pain in rat model are reported. The synthesis of this enantiopure trifluoromethyl group containing tripeptide was performed through a peptide coupling reaction between the HCl. Leu-Gly-NH2 and the (S)-α-Tfm-proline. The analgesic effect of the CF3-(MIF-1) 2 has been evaluated in vivo on rat model by paw pressure (PP)

  据报道在大鼠模型中新型MIF-1类似物的合成及其在急性疼痛过程中对伤害感受的作用。该对映体纯的含三氟甲基的三肽的合成是通过HCl之间的肽偶联反应进行的。Leu-Gly-NH 2和（S）-α-Tfm-脯氨酸。CF 3-（MIF-1）2的镇痛作用已通过爪压（PP）和热板（HP）测试在大鼠模型上进行了体内评估，并与天然肽MIF-1进行了比较。CF 3-（MIF-1）2的镇痛效果最高仅在PP测试中。为了研究由所研究的肽诱导的伤害感受的机制，研究了阿片样物质和一氧化氮能系统的参与。结果表明，自从在注射CF 3-（MIF-1）2之前20分钟使用鸦片受体纳洛酮的非竞争性拮抗剂一氧化氮合酶（NOS）抑制剂l进行预处理以来，这两个系统都参与其中。-N G-硝基精氨酸酯（l -NAME）或一氧化氮（NO）供体l-精氨酸（l -Arg）在PP和HP测试中显着降低了疼痛感。