肌氨酸甲酯盐酸盐 | 13515-93-0

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 其他保护氨基酸
• 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: 肌氨酸甲酯盐酸盐
• 中文别名: N-甲基氨基乙酸甲酯盐酸盐
• 英文名称: N-methylglycine methyl ester hydrochloride
• 英文别名: sarcosine methyl ester hydrochloride；methyl 2-(methylamino)acetate hydrochloride；methyl sarcosinate hydrochloride；methyl N-methylglycinate hydrochloride；sacrosine methyl ester* hydrochloride；N-methylglycine methyl ester hydrochloride salt；methyl methylglycinate hydrochloride；Hydron;methyl 2-(methylamino)acetate;chloride；hydron;methyl 2-(methylamino)acetate;chloride
• CAS: 13515-93-0
• 化学式: C₄H₁₀NO₂*Cl
• mdl: MFCD00038876
• 分子量: 139.582
• InChiKey: HQZMRJBVCVYVQA-UHFFFAOYSA-N

物化性质

• 熔点：
  117-119 °C(lit.)
• 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：
  在常温常压下保持稳定，应避免接触水分、潮湿以及氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.57
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• TSCA：
  Yes
• 危险品标志：
  O,Xi,Xn
• 安全说明：
  S26,S39
• 危险类别码：
  R22,R36/37/38,R41,R37/38
• WGK Germany：
  3
• 海关编码：
  2922499990
• 危险品运输编号：
  NONH for all modes of transport
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  常温密闭保存，阴凉通风干燥。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Sarcosine methyl ester hydrochloride
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.
CAS-No. : 13515-93-0
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
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
Serious eye damage (Category 1), H318
Specific target organ toxicity - single exposure (Category 3), H335
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
Xn Harmful R22, R37/38, R41
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 Danger
Hazard statement(s)
H302 Harmful if swallowed.
H315 Causes skin irritation.
H318 Causes serious eye damage.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280 Wear protective gloves/ eye protection/ face protection.
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 - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C4H9NO2 · HCl
Molecular Weight : 139,58 g/mol
CAS-No. : 13515-93-0
EC-No. : 236-853-2
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Methyl N-methylaminoacetate hydrochloride
CAS-No. 13515-93-0 Acute Tox. 4; Skin Irrit. 2; Eye <= 100 %
EC-No. 236-853-2 Dam. 1; STOT SE 3; H302,
H315, H318, H335
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Methyl N-methylaminoacetate hydrochloride
CAS-No. 13515-93-0 Xn, R22 - R37/38 - R41 <= 100 %
EC-No. 236-853-2
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
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
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. 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.
Hygroscopic.
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
Face shield and safety glasses 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.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone [phone], test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. 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: powder
Colour: beige
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 117 - 119 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration 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- log Pow: -0,529
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
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
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
Inhalation - May cause respiratory irritation.
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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
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.
Acute Tox. Acute toxicity
Eye Dam. Serious eye damage
H302 Harmful if swallowed.
H315 Causes skin irritation.
H318 Causes serious eye damage.
H335 May cause respiratory irritation.
Skin Irrit. Skin irritation
STOT SE Specific target organ toxicity - single exposure
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
R37/38 Irritating to respiratory system and skin.
R41 Risk of serious damage 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.

制备方法与用途

用途

肌氨酸甲酯盐酸盐是一种氨基酸类衍生物，可用作生化试剂。

反应信息

• 作为反应物：
  描述：

  肌氨酸甲酯盐酸盐 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(甲基氨基)乙酸甲酯
  参考文献：
  名称：

  NOVEL CONDENSED IMIDAZOLE DERIVATIVE

  摘要：

  揭示了一种化合物，其化学式如下（1），具有较高的DPP-IV抑制活性，并在安全性、毒性等方面得到改善。还披露了这种化合物的前药和其药用可接受的盐。（在该式中，R1代表氢原子、可选择取代的烷基或类似物；R2和R3独立代表氢原子、可选择取代的烷基或类似物；R4和R5独立代表氢原子、可选择取代的烷基或类似物；R6代表氢原子、可选择取代的芳基或类似物；-Y-NH2代表由以下式（A）表示的基团：（其中m为0、1或2；R7可能不存在，或一个或两个R7可以存在且独立代表可选择取代的烷基或类似物）或类似物。）

  公开号：

  EP1690863A1
• 作为产物：
  描述：

  肌氨酸 在 氯化亚砜 作用下， 以 甲醇 为溶剂， 生成 肌氨酸甲酯盐酸盐
  参考文献：
  名称：

  Method for using substrate in peptide syntheses

  摘要：

  基板包括一种多孔聚合物材料，其孔隙度至少为75％，孔径范围为1到100μm，并由多个孔相互连接，并且包含一种凝胶或适用于形成凝胶的材料，该凝胶或预凝胶材料被包含并保留在聚合物材料的孔内，并适用于与反应性物种相互作用。可通过在多孔聚合物材料的孔内沉积和保留凝胶或适用于形成凝胶的材料来制备。多孔聚合物材料的高孔隙度与凝胶在孔内的保留相结合，可实现高负载能力，特别是在肽合成领域。该基板可用于化学合成，色谱技术，离子交换和分离技术。

  公开号：

  US05066784A1
• 作为试剂：
  描述：

  L-tryptophyl chloride ; hydrochloride 、 肌氨酸甲酯盐酸盐 在 肌氨酸甲酯盐酸盐 作用下， 以94的产率得到
  参考文献：
  名称：

  制备他达拉菲的方法

  摘要：

  本发明公开了制备他达拉非的方法。本方法以D-色氨酸为起始料来合成他达拉菲。利用本发明的制备他达拉菲的方法可以有效地制备他达拉菲，并且合成效率高，所制备他达拉菲的纯度较高。另外，该制备方法还具有起始原料易得、工艺操作简单、反应条件温和、无需特殊反应设备、在制备过程中没有难以分离的化合物等优点，从而更适合大规模、工业化生产他达拉菲。

  公开号：

  CN103524502A

文献信息

• IRAK DEGRADERS AND USES THEREOF
  申请人：Kymera Therapeutics, Inc.

  公开号：US20190192668A1

  公开（公告）日：2019-06-27

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• Synthesis of Potent Cytotoxic Epidithiodiketopiperazines Designed for Derivatization
  作者：Chase R. Olsson、Joshua N. Payette、Jaime H. Cheah、Mohammad Movassaghi

  DOI：10.1021/acs.joc.9b03371

  日期：2020.4.3

  We describe our design, synthesis, and chemical study of a set of functional epidithiodiketopiperazines (ETPs) and evaluation of their activity against five human cancer cell lines. Our structure-activity relationship-guided substitution of ETP alkaloids offers versatile derivatization, while maintaining potent anticancer activity, offering exciting opportunity for their use as there are no examples

  我们描述了我们的设计，合成和一组功能性表二硫代二酮哌嗪（ETPs）的化学研究，以及它们对五种人类癌细胞系的活性评估。我们的结构-活性关系指导的ETP生物碱取代提供了广泛的衍生化，同时保持了有效的抗癌活性，为它们的使用提供了令人兴奋的机会，因为没有将复杂而有效的抗癌（nM）ETP实例直接用作可结合的探针或战斗部的例子。我们对具有功能性连接子的ETP进行战略性设计的合成解决方案要求在复杂环境中进行立体选择性后期氧化和硫醇化化学方面的进展，包括应用新型试剂对二酮哌嗪进行二羟基化和顺式硫化。我们证明，配备有战略取代的叠氮化物官能团的复杂ETP易于衍生为相应的ETP-三唑，而不会损害抗癌活性。我们对ETP的化学稳定性进行研究，并对设计的ETP对A549，DU 145，HeLa，HCT 116和MCF7人类癌细胞系的细胞毒性进行评估，从而洞察了结构特征对效能和化学稳定性的影响，从而为ETP的未来应用提供了信息在化学和生物学研究中。
• Development of Robust 17(R),18(S)-Epoxyeicosatetraenoic Acid (17,18-EEQ) Analogs as Potential Clinical Antiarrhythmic Agents
  作者：Adeniyi Michael Adebesin、Tim Wesser、Jonnalagadda Vijaykumar、Anna Konkel、Mahesh Paudyal、Janine Lossie、Chen Zhu、Christina Westphal、Narender Puli、Robert Fischer、Wolf-Hagen Schunck、John R. Falck

  DOI：10.1021/acs.jmedchem.9b00952

  日期：——

  due to limited oral bioavailability and metabolic stability. These ADME limitations have been addressed in an improved generation of negative chronotropes, e.g., 4 and 16, which were evaluated as potential clinical candidates.

  17（R），18（S）-环氧二十碳四烯酸（EEQ）是二十碳五烯酸（EPA）的细胞色素P450代谢产物，是新生鼠心肌细胞（NRCM）心律不齐模型中具有低纳摩尔活性的强负性变倍体。先前的研究确定草酰胺2b是一种稳定的可溶性环氧水解酶（sEH）替代品，但由于口服生物利用度和代谢稳定性有限，因此不适合用于体内应用。这些ADME局限性已通过改善负负变时剂（例如4和16）的产生得到解决，这些负变时剂被评估为潜在的临床候选药物。
• [EN] BORONIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS D'ACIDE BORONIQUE
  申请人：MERCK PATENT GMBH

  公开号：WO2016050358A1

  公开（公告）日：2016-04-07

  Compounds of formula (I) are inhibitors of LMP7 and can be employed, inter alia, for the treatment of an autoimmue disorder or hematological malignancies.

  式(I)的化合物是LMP7的抑制剂，可用于治疗自身免疫性疾病或血液恶性肿瘤，等等。
• A heterometallic (Fe₆Na₈) cage-like silsesquioxane: synthesis, structure, spin glass behavior and high catalytic activity
  作者：Alexey N. Bilyachenko、Mikhail M. Levitsky、Alexey I. Yalymov、Alexander A. Korlyukov、Anna V. Vologzhanina、Yuriy N. Kozlov、Lidia S. Shul'pina、Dmytro S. Nesterov、Armando J. L. Pombeiro、Frédéric Lamaty、Xavier Bantreil、Amandine Fetre、Diyang Liu、Jean Martinez、Jérôme Long、Joulia Larionova、Yannick Guari、Alexander L. Trigub、Yan V. Zubavichus、Igor E. Golub、Oleg A. Filippov、Elena S. Shubina、Georgiy B. Shul'pin

  DOI：10.1039/c6ra07081g

  日期：——

  The exotic "Asian Lantern" heterometallic cage silsesquioxane [(PhSiO1.5)20(FeO1.5)6(NaO0.5)8(n-BuOH)9.6(C7H8)] (I) was obtained and characterized by X-ray diffraction, EXAFS, topological analyses and DFT calculation. The magnetic properties investigations revealed that it shows...

  获得了奇异的“亚洲灯笼”杂金属笼型倍半硅氧烷[（PhSiO1.5）20（FeO1.5）6（NaO0.5）8（n-BuOH）9.6（C7H8）]（I）并通过X射线衍射进行了表征，EXAFS，拓扑分析和DFT计算。磁性研究表明，它表明...