2-(2-甲氧基乙氧基)乙胺 | 31576-51-9

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-(2-甲氧基乙氧基)乙胺
• 中文别名: 1-(2-氨基乙氧基)-2-甲氧基乙烷；2-(2-甲氧基乙氧基)-乙胺
• 英文名称: 2-(2-methoxyethoxy)ethanamine
• 英文别名: 2-(2-methoxyethoxy)ethan-1-amine；2-(2-methoxyethoxy)ethylamine；1-(2-aminoethoxy)-2-methoxyethane
• CAS: 31576-51-9
• 化学式: C₅H₁₃NO₂
• mdl: MFCD09032941
• 分子量: 119.164
• InChiKey: QWCGXANSAOXRFE-UHFFFAOYSA-N

物化性质

• 沸点：
  163.7±15.0 °C(Predicted)
• 密度：
  0.934±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  8
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 海关编码：
  2922199090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P210,P264,P270,P280,P301+P310+P330,P370+P378,P403+P235,P405,P501
• 危险品运输编号：
  2810
• 危险性描述：
  H227,H301
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-(2-Methoxyethoxy)ethanamine
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-(2-Methoxyethoxy)ethanamine
CAS number: 31576-51-9

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C5H13NO2
Molecular weight: 119.2

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

生物活性

m-PEG2-Amine 是一种 PROTAC 连接桥，属于 PEG 类。它可用于合成一系列 PROTAC 分子，并作为可降解 (cleavable) 的 ADC 连接桥，在抗体药物结合物 (ADCs) 的合成中发挥作用。

靶点

性质	说明
可降解
PEG

体外研究

PROTACs 包含两种不同的配体，通过一个连接子相连；一种是 E3 泛素连接酶的配体，另一种则是靶蛋白的配体。PROTACs 利用细胞内的泛素-蛋白酶体系统选择性降解目标蛋白质。

ADCs 由抗体组成，该抗体通过 ADC 连接桥与 ADC 药物毒素相连。

反应信息

• 作为反应物：
  描述：

  2-(2-甲氧基乙氧基)乙胺 在 盐酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 4-(Aminomethyl)-N-(2-(2-methoxyethoxy)ethyl)benzamide
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER

  摘要：

  公开号：

  EP2439204B1
• 作为产物：
  描述：

  二乙二醇单甲醚 在 一水合肼 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2-(2-甲氧基乙氧基)乙胺
  参考文献：
  名称：

  单颗粒和整体扩散率—遍历性检验

  摘要：

  为了通过实验证明遍历定理，通过在相同条件下使用两种概念上不同的方法，测量了纳米结构多孔玻璃内部客体分子的扩散率。通过单分子跟踪实验直接观察染料分子扩散获得的数据（红色圆圈）与在脉冲场梯度NMR实验中获得的整体值（黑色正方形）完全吻合。

  DOI：

  10.1002/anie.201105388
• 作为试剂：
  描述：

  2-吡啶甲醛肟 、 环氧氯丙烷 在 sodium ethanolate 、 2-(2-甲氧基乙氧基)乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 1.0h， 生成 N-(2-hydroxypropyl)-1-pyridin-3-ylmethanimine oxide 、
  参考文献：
  名称：

  吡啶甲醛甲醛肟与环氧化合物的烷基化

  摘要：

  O- and N-Alkylation products were obtained by reactions of pyridine-2-, -3-. and -4-carbaldehyde oximes with enantiomerically pure and racemic epoxy compounds (1,2-epoxypropane, 1-phenyl-1,2-epoxyethane, 1-chloro-2,3-epoxypropane, and 1-bromo-2,3-epoxypropane) in the presence of bases and under conditions of phase-transfer catalysis. A series of new amino alcohols was synthesized by condensation of amines with products of O-alkylation of pyridinecarbaldehyde oximes with 1-halo-2,3-epoxypropanes.

  DOI：

  10.1134/s1070428007030220

文献信息

• [EN] SELF-IMMOLATIVE LINKERS CONTAINING MANDELIC ACID DERIVATIVES, DRUG-LIGAND CONJUGATES FOR TARGETED THERAPIES AND USES THEREOF<br/>[FR] LIEURS AUTO-IMMOLABLES CONTENANT DES DÉRIVÉS D'ACIDE MANDÉLIQUE, CONJUGUÉS MÉDICAMENT-LIGAND POUR THÉRAPIES CIBLÉES, ET LEURS UTILISATIONS
  申请人：ASANA BIOSCIENCES LLC

  公开号：WO2015038426A1

  公开（公告）日：2015-03-19

  The invention provides a therapeutic drug and targeting conjugate, pharmaceutical compositions containing these conjugates in pharmaceutical composition, and uses of these conjugates in anti-neoplastic and other therapeutic regimens. Also provided are novel intermediates thereof. The conjugates provide a therapeutic drug fragment or prodrug fragment bound to a targeting moiety via a linker which comprises a substrate cleavable by a protease such as Cathepsin B. The targeting moiety is a ligand which targets a cell surface molecule, such as a cell surface receptor on an anti-neoplastic cell. The ligand may function solely as a targeting moiety or may itself have a therapeutic effect. Following administration of the therapeutic drug and targeting conjugate of formula I and exposure of the conjugate to the protease specific for the substrate, the linker is cleaved and the targeting moiety is separated from the conjugate, which causes the drug fragment or prodrug fragment to convert to the drug or prodrug. The recited conjugates are useful in anti-neoplastic therapies. Also provided are methods of making the therapeutic drug and targeting conjugates and intermediates thereof, and kits comprising the therapeutic drug and targeting conjugates.

  该发明提供了一种治疗药物和靶向共轭物，包含这些共轭物的药物组合物，以及这些共轭物在抗肿瘤和其他治疗方案中的用途。还提供了其新颖的中间体。这些共轭物通过一个由蛋白酶如半胱氨酸蛋白酶B可切割的底物组成的连接物将治疗药物片段或前药片段与靶向基团结合。靶向基团是一个以细胞表面分子为靶点的配体，例如抗肿瘤细胞上的细胞表面受体。该配体可能仅作为靶向基团，也可能本身具有治疗效果。在给药公式I的治疗药物和靶向共轭物并使共轭物暴露于特异于底物的蛋白酶的情况下，连接物被切割，靶向基团与共轭物分离，导致药物片段或前药片段转化为药物或前药。所述的共轭物在抗肿瘤疗法中很有用。还提供了制备治疗药物和靶向共轭物及其中间体的方法，以及包含治疗药物和靶向共轭物的试剂盒。
• Structural modifications that increase gut restriction of bile acid derivatives
  作者：Ali Nakhi、Henry L. Wong、Melissa Weldy、Alexander Khoruts、Michael J. Sadowsky、Peter I. Dosa

  DOI：10.1039/d0md00425a

  日期：——

  activity at this receptor. Instead, building on our previous discovery that incorporation of a 7-methoxy group into chenodeoxycholic acid derivatives greatly increases their TGR5 receptor potency, we determined that an N-methyl-D-glucamine group could be conjugated to the scaffold to obtain a compound with an excellent mix of potency at the TGR5 receptor, low oral exposure, and good fecal recovery.

  已经研究了胆汁酸衍生物作为多种疾病的可能治疗剂，包括可能首选肠道限制类似物的几种疾病。其中包括预防艰难梭菌感染 (CDI) 和治疗炎症性肠病 (IBD)。然而，肠道限制性胆汁酸类似物的设计由于高效的肠肝循环系统而变得复杂，该系统通常从消化道重新吸收这些化合物，然后返回肝脏。在此，我们报道了在胆汁酸支架的 7 位加入硫酸盐基团可降低口服生物利用度并增加两对旨在抑制艰难梭菌萌发的化合物的粪便回收率孢子。设计用于治疗 IBD 的基于肠道限制性胆汁酸的 TGR5 激动剂需要采用不同的方法，因为 7-硫酸盐基团的掺入会降低该受体的活性。取而代之的是，基于我们之前的发现，即在鹅去氧胆酸衍生物中加入 7-甲氧基会大大增加其 TGR5 受体的效力，我们确定N-甲基-D-葡糖胺基团可以与支架结合以获得具有TGR5 受体的效力、低口服暴露量和良好的粪便恢复能力的完美结合。
• Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors
  作者：Song Feng、Chao Li、Dongdong Chen、Xiufang Zheng、Hongying Yun、Lu Gao、Hong C. Shen

  DOI：10.1016/j.ejmech.2017.07.032

  日期：2017.9

  compound 8. In this paper, we report the discovery and optimization of a series of methylsulfonyl indazoles as potent RSV fusion inhibitors. In particular, compound 47 was orally efficacious in a RSV mouse model, with 1.6 log unit viral load reduction at 25 mg/kg BID upon oral dosing. The results may have broad implications for the design of new RSV fusion inhibitors, and demonstrate the potential for developing

  最近，我们描述了一类新型的咪唑并吡啶化合物，它们在细胞培养中显示出非凡的抗RSV效力。然而，不利的药代动力学（PK）性质和谷胱甘肽（GSH）加合物的负债阻碍了它们的进一步发展。为了解决PK和早期安全问题，设计并合成了一个由数十个支架跳跃类似物组成的小型化合物文库，用于RSV CPE分析筛选，从而确定了一个新的化学起点：甲基磺酰基吲哚化合物8。在本文中，我们报告了一系列作为有效RSV融合抑制剂的甲基磺酰基吲唑的发现和优化。特别是化合物47在RSV小鼠模型中具有口服有效作用，口服剂量在25 mg / kg BID时可减少1.6 log单位的病毒载量。结果可能对新型RSV融合抑制剂的设计具有广泛的意义，并证明了开发针对RSV感染的新疗法的潜力。
• Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias
  申请人：——

  公开号：US20020137766A1

  公开（公告）日：2002-09-26

  There is provided compounds of formula (I), wherein R 1 , R 2 , R 3 and R a to R h have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias, a process for the preparation of compounds of formula (I), and intermediate compounds.

  提供了一种通式(I)的化合物，其中R1、R2、R3以及Ra至Rh具有说明书中给出的含义，这些化合物在预防和治疗心律失常，特别是房性和室性心律失常方面具有用途；还提供了一种制备通式(I)化合物的方法以及中间体化合物。
• [EN] NITROGEN-CONTAINING HETEROCYCLIC COMPOUND<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE CONTENANT DE L'AZOTE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013018929A1

  公开（公告）日：2013-02-07

  The present invention provides a novel compound having a superior activity as an ERR-α modulator and useful as an agent for the prophylaxis or treatment of ERR-α associated diseases. The present invention relates to a compound represented by the formula (1) wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种新型的化合物，作为一种ERR-α调节剂具有优越的活性，并可作为预防或治疗与ERR-α相关疾病的药物。本发明涉及一种由公式(1)表示的化合物，其中每个符号如说明书中所定义，或其盐。

表征谱图