5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸 | 6453-58-3

• 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: 5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸
• 英文名称: Nα-Benzoyl-DL-arginine
• 英文别名: N-benzoyl arginine；N^α-Benzoyl-DL-arginin；Benzoyl-arginin；α-Benzoyl-L-arginin；N^α-Benzoyl-arginin；benzoyl-Arg；2-Benzamido-5-(diaminomethylideneazaniumyl)pentanoate
• CAS: 6453-58-3
• 化学式: C₁₃H₁₈N₄O₃
• 分子量: 278.311
• InChiKey: RSYYQCDERUOEFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38

SDS

Name:	5-{[amino(imino)methyl]amino}-2-(benzoylamino)pentanoic acid 97% Material Safety Data Sheet
Synonym:	N-alpha-Benzoyl-DL-arginin
CAS:	6453-58-3

Section 1 - Chemical Product MSDS Name:5-{[amino(imino)methyl]amino}-2-(benzoylamino)pentanoic acid 97% Material Safety Data Sheet
Synonym:N-alpha-Benzoyl-DL-arginin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6453-58-3	5-{[Amino(imino)methyl]amino}-2-(benzo	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry 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# 6453-58-3: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 285 deg C(decom)
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: C13H18N4O3
Molecular Weight: 278

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6453-58-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-{[Amino(imino)methyl]amino}-2-(benzoylamino)pentanoic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 6453-58-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6453-58-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6453-58-3 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：

  5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸 在 盐酸 作用下， 生成 DL-精氨酸
  参考文献：
  名称：

  Soerensen; Hoeyrup; Andersen, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1911, vol. 76, p. 85

  摘要：

  DOI：
• 作为产物：
  描述：

  N-ALPHA-苄酰-L-精氨酸 在 乙酸酐 、 溶剂黄146 作用下， 生成 5-[[氨基(亚氨基)甲基]氨基]-2-(苄氨基)戊酸
  参考文献：
  名称：

  Kitagawa; Izumiya, Journal of Biochemistry, 1959, vol. 46, p. 1159,1161

  摘要：

  DOI：

文献信息

• Hybrid biofunctional nanostructures as stimuli-responsive catalytic systems
  作者：Gernot U Marten、Thorsten Gelbrich、Annette M Schmidt

  DOI：10.3762/bjoc.6.98

  日期：——

  A novel active biocatalytic reaction system is proposed by covalently immobilizing porcine pancreas trypsin within the thermoresponsive polymer shell of superparamagnetic Fe₃O₄ nanoparticles.

  Active ester-functional nanocarriers suitable for the immobilization of amino functional targets are obtained in a single polymerization step by grafting-from copolymerization of an active ester monomer from superparamagnetic cores. The comonomer, oligo(ethylene glycol) methyl ether methacrylate, has excellent water solubility at room temperature, biocompatibility, and a tunable lower critical solution temperature (LCST) in water. The phase separation can alternatively be initiated by magnetic heating caused by magnetic losses in ac magnetic fields.

  The immobilization of porcine pancreas trypsin to the core–shell nanoparticles results in highly active, nanoparticulate biocatalysts that can easily be separated magnetically. The enzymatic activity of the obtained biocatalyst system can be influenced by outer stimuli, such as temperature and external magnetic fields, by utilizing the LCST of the copolymer shell.

  提出了一种新颖的活性生物催化反应系统，通过在超顺磁Fe3O4纳米颗粒的热响应聚合物壳中共价固定猪胰腺酶来实现。通过从超顺磁核心的活性酯单体进行接枝共聚合，可以在单一聚合步骤中获得适用于固定氨基功能靶的活性酯功能纳米载体。共聚物的共聚单体，寡聚（乙二醇）甲醚丙烯酸甲酯，在室温下具有优异的水溶性、生物相容性和可调的水中临界溶解温度（LCST）。相分离也可以通过在交流磁场中由磁损耗引起的磁加热来引发。 将猪胰腺酶固定到核壳纳米颗粒上导致产生高活性的纳米生物催化剂，可通过磁分离轻松分离。所获得的生物催化剂系统的酶活性可以受外部刺激（如温度和外部磁场）的影响，利用共聚物壳的LCST。
• Multivalently interactive molecular assembly, capturing agent, drug carrier, calcium chelating agent, and drug enhancer
  申请人：——

  公开号：US20030171573A1

  公开（公告）日：2003-09-11

  A multivalently interactive molecular assembly having a plurality of functional groups or ligands, in which a ratio between R h and R g expressed as R h /R g is 1.0 or less. Here, R h is a hydrodynamic radius calculated from dynamic light scattering (DLS) assay performed in aqueous solution; and R g is a radius of gyration determined based on the Zimm plot generated using data obtained by static light scattering (SLS) assay.

  具有多个功能基团或配体的分子组装体，其中Rh和Rg之间的比率Rh/Rg小于等于1.0。其中，Rh是在水溶液中进行动态光散射（DLS）测定计算出的流体力学半径；而Rg是基于使用静态光散射（SLS）测定得到的数据生成的Zimm图确定的旋转半径。
• Compositions for the delivery of antigens
  申请人：Emisphere Technologies, Inc.

  公开号：US20020001591A1

  公开（公告）日：2002-01-03

  The present invention relates to compositions and methods for orally delivering antigens. The antigen and an adjuvant are combined with an acylated amino acid or polyamino acid and, a sulfonated amino acids or polyamino acid, or a salt of the foregoing.

  本发明涉及用于口服给药抗原的组合物和方法。将抗原和佐剂与酰化氨基酸或多氨基酸，磺化氨基酸或多氨基酸，或其盐结合。
• N-17-Alkylated Prodrugs of Opioids
  申请人：Jenkins Thomas E.

  公开号：US20120142718A1

  公开（公告）日：2012-06-07

  Compounds of formula (II) R 1 R 2 R 3 N + —(C(R 1a )(R 2a ))—Ar—Z—C(O)—Y—(C(R 1 )(R 2 )) n —N—(R 3 )(R 4 )A − II, in which R 1 R 2 R 3 N + , R 1a , R 2a , Ar, Z, Y, R 1 , R 2 , n, R 3 , R 4 and A − have the meanings given in the specification, are useful as prodrugs for opioids (Example 13).

  式（II）的化合物R1R2R3N+—（C（R1a）（R2a））—Ar—Z—C（O）—Y—（C（R1）（R2））n—N—（R3）（R4）A−II，其中R1R2R3N+，R1a，R2a，Ar，Z，Y，R1，R2，n，R3，R4和A−的含义如说明书所述，可用作阿片类药物的前药物（例13）。
• DEVICE AND METHOD FOR SOLUBILIZING, SEPARATING, REMOVING AND REACTING CARBOXYLIC ACIDS IN OILS, FATS, AQUEOUS OR ORGANIC SOLUTIONS BY MEANS OF MICRO-OR NANOEMULSIFICATION
  申请人：Dietz Ulrich

  公开号：US20160122686A1

  公开（公告）日：2016-05-05

  The present invention is directed to solubilizing compounds, a device and a method for solubilizing and removing carboxylic acids and especially fatty acids from oils, fats, aqueous emulsion, aqueous media and organic solutions. Devices utilizing the inventive method shall be used for separating carboxylic acids from oils, fats, aqueous emulsion, lipophilic media or organic solutions, respectively by preparing an aqueous micro- or nanoemulsion of the carboxylic acids especially the fatty acids and the solubilizing compound which contains at least one amidino and/or gianidino group. Solubilization effects of solubilizing compounds combined with the inventive use of separation methods for carboxylic acids can be used to treat persons in need of removal of fatty acids or analyze carboxylic acids from blood or process other solutions in food, pharmacy, chemistry, bio fuel industry or other industrial processings.

  本发明涉及溶解化合物、用于从油、脂肪、水乳液、水介质和有机溶液中溶解和去除羧酸，特别是脂肪酸的装置和方法。利用本发明方法的装置将用于通过制备羧酸，特别是脂肪酸和含有至少一种氨基甲酰和/或硝基甲酰基团的溶解化合物的水微型或纳米乳液，分离油、脂肪、水乳液、亲脂介质或有机溶液中的羧酸。溶解化合物的溶解效果结合本发明用于羧酸分离的方法可用于治疗需要去除脂肪酸或从血液中分析羧酸或处理食品、药品、化学、生物燃料工业或其他工业加工中的其他溶液的人。