5-氨基-5-氧代庚酸 | 25335-74-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 5-氨基-5-氧代庚酸
• 英文名称: glutaramic acid
• 英文别名: glutaric acid mono amide；5-amino-5-oxopentanoic acid
• CAS: 25335-74-4
• 化学式: C₅H₉NO₃
• mdl: MFCD08693400
• 分子量: 131.131
• InChiKey: GTFMAONWNTUZEW-UHFFFAOYSA-N

物化性质

• 熔点：
  94 °C
• 沸点：
  421.5±28.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924199090
• 储存条件：
  2-8°C，密封保存，置于干燥处。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 5-Amino-5-Oxopentanoic Acid
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
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
Classification according to Regulation (EC) No 1272/2008
Eye irritation (Category 2), H319
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R36
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 131,13 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
5-Amino-5-Oxopentanoic Acid
Eye Irrit. 2; H319 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
5-Amino-5-Oxopentanoic Acid
Xi, R36 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. 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
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 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
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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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) Auto-ignition 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
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
No data available
Hazardous decomposition products
In the event of fire: see section 5

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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 sensitisation
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
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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
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. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
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
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Eye Irrit. Eye irritation
H319 Causes serious eye irritation.
Full text of R-phrases referred to under sections 2 and 3
Xi Irritant
R36 Irritating to eyes.
Further information
Copyright 2014 Co. LLC. 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. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  5-氨基-5-氧代庚酸 生成 戊二酰亚胺
  参考文献：
  名称：

  NOUVELLES SYNTHÈSES DE L'ACIDE GLUTARIQUE, DE LA GLUTARIMIDE ET DE L'ACIDE GLUTAMIQUE: PRÉPARATION DE LA N-BROMOGLUTARIMIDE

  摘要：

  不可用

  DOI：

  10.1139/v55-212
• 作为产物：
  描述：

  L-赖氨酸 在 ruthenium trichloride 、 sodium periodate 、 phosphate buffer 作用下， 以 四氯化碳 、 乙腈 为溶剂， 反应 3.0h， 以34%的产率得到5-氨基-5-氧代庚酸
  参考文献：
  名称：

  Ranganathan; Muraleedharan; Bhattacharyya, Journal of the Indian Chemical Society, 1998, vol. 75, # 10-12, p. 583 - 589

  摘要：

  DOI：

文献信息

• Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
  作者：Olivier Bezençon、Daniel Bur、Thomas Weller、Sylvia Richard-Bildstein、Luboš Remeň、Thierry Sifferlen、Olivier Corminboeuf、Corinna Grisostomi、Christoph Boss、Lars Prade、Stéphane Delahaye、Alexander Treiber、Panja Strickner、Christoph Binkert、Patrick Hess、Beat Steiner、Walter Fischli

  DOI：10.1021/jm900022f

  日期：2009.6.25

  Starting from known piperidine renin inhibitors, a new series of 3,9-diazabicyclo[3.3.1]nonene derivatives was rationally designed and prepared. Optimization of the positions 3, 6, and 7 of the diazabicyclonene template led to potent renin inhibitors. The substituents attached at the positions 6 and 7 were essential for the binding affinity of these compounds for renin. The introduction of a substituent

  从已知的哌啶肾素抑制剂开始，合理设计和制备了一系列新的3,9-二氮杂双环[3.3.1]壬烯衍生物。优化二氮杂双环烯模板的位置3、6和7导致有效的肾素抑制剂。在6和7位上连接的取代基对于这些化合物对肾素的结合亲和力是必不可少的。引入在3位上连接的取代基不会改变结合亲和力，但可以调节ADME性质。我们的努力导致发现抑制肾素的化合物（+）- 26g，在缓冲液中的IC 50为0.20 nM，在血浆中的IC 50为19 nM。讨论了该化合物和其他类似化合物的药代动力学特性。化合物（+）- 26克 在大鼠中被很好地吸收，在体内10 mg / kg时有效。
• Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors
  申请人：G.D. Searle & Co.

  公开号：US06337398B1

  公开（公告）日：2002-01-08

  Succinoylamino hydroxyethylamino sulfonyl urea derivatives of the formula: wherein the substituents are as defined in the specification, are effective as retroviral protease inhibitors, and in particular as inhibitors of HIV protease.

  丁酰氨基羟基乙氨基磺酰脲衍生物的公式如下： 其中，取代基的定义如说明书所述，这些衍生物作为逆转录病毒蛋白酶抑制剂是有效的，尤其是作为HIV蛋白酶的抑制剂。
• One-Pot, Regioselective Synthesis of Substituted Arylglycines for Kinetic Resolution by Penicillin G Acylase
  作者：Peter Grundmann、Wolf-Dieter Fessner

  DOI：10.1002/adsc.200800203

  日期：2008.8.4

  phenylacetamide and glyoxylic acid offers an inexpensive route to a large variety of N-phenylacetylated arylglycines that are suited for immediate enzymatic resolution by penicillin G acylase. When performed under mild conditions at 5 °C in acetic acid/HCl, this simple one-pot operation resulted in the formation of single regioisomers only (≥98%). Subsequent kinetic resolution of the amino acid derivatives by penicillin

  用苯乙酰胺和乙醛酸将富电子芳烃的酰胺烷基化为廉价的生产各种N-苯基乙酰化芳基甘氨酸的途径提供了一条廉价途径，这些途径适合通过青霉素G酰基转移酶立即进行酶促拆分。当在5°C的乙酸/ HCl中于温和条件下进行时，这种简单的一锅操作只能形成单一的区域异构体（≥98％）。随后在E值> 100的情况下，发生青霉素G酰基转移酶对氨基酸衍生物的动力学拆分，通常E值> 100，因此可提供具有高对映体纯度的游离（S）-构型芳基甘氨酸。对应的对映体（R底物，可通过相选择萃取工艺轻松分离，可在常规水解过程中提供相应的（R）-对映异构体。此一锅，两步的芳基甘氨酸合成，拆分和后处理程序需要最少的设备，并允许以小规模快速接触非天然α-氨基酸的对映体（S）和（R）对映体-大量生产。
• Mapping of the active site of rat kidney γ-glutamyl transpeptidase using activated esters and their amide derivatives
  作者：Roselyne Castonguay、Christian Lherbet、Jeffrey W Keillor

  DOI：10.1016/s0968-0896(02)00165-7

  日期：2002.12

  usually an amino acid or a peptide. In order to investigate which moieties of the donor substrate are necessary for recognition by GGT, the structure of the well-recognized substrate L-gamma-glutamyl-p-nitroanilide was modified. Several activated esters and their amide derivatives were synthesized and used as substrates. Kinetic (K(m) and V(max)) and inhibition constants (K(i)) were measured and reveal

  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。
• Intramolecular influence of a carboxylic function on platinum blue synthesis. A systematic study of complexes originating from acid amides
  作者：Philippe Arrizabalaga、Paule Castan、Jean Pierre Laurent

  DOI：10.1021/ja00329a028

  日期：1984.8

  Utilisation d'un amidoacide comme coordinat pour obtenir du bleu de Pt. On montre le role de la fonction carboxylique qui offre un site primaire de fixation a Pt. Activite antitumorale

  使用 d'un amidoacide comme coordinat pour obtenir du bleu de Pt. On montre le role de la fonction carboxylique qui offre un site primaire de fixation a Pt. 活性抗肿瘤