2-氨基-N-环丙基乙酰胺 | 120436-02-4

• 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: 2-氨基-N-环丙基乙酰胺
• 英文名称: 2-amino-N-cyclopropylacetamide
• CAS: 120436-02-4
• 化学式: C₅H₁₀N₂O
• mdl: MFCD06658308
• 分子量: 114.147
• InChiKey: CAYSWNDCZRTXGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-n-cyclopropyl-acetamide
Synonyms:

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

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Amino-n-cyclopropyl-acetamide
CAS number: 120436-02-4

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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.

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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.

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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.

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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:

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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.

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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: C5H10N2O
Molecular weight: 114.1

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氨基-N-环丙基乙酰胺 在 劳森试剂 作用下， 以 四氢呋喃 、 正丁醇 为溶剂， 反应 126.0h， 生成 4-N-(N-cyclopropylthionocarbamoylmethyl)amino-5-phenyl-7-(5-deoxy-2,3-O-isopropylidenyl-β-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine
  参考文献：
  名称：

  腺苷激酶抑制剂。6.在C4处被甘氨酰胺和相关化合物取代的5-苯基-7-（5-脱氧-β-D-核呋喃糖基）吡咯并[2,3-d]嘧啶的合成，水溶性和抗伤害作用。

  摘要：

  4-（苯氨基）-5-苯基-7-（5-脱氧-β-D-呋喃呋喃糖基）吡咯并[2,3-d]嘧啶1和相关化合物被称为“二芳基丁二醛”类似物，是腺苷激酶（AK）的有效抑制剂。 ），并且在疼痛动物模型（例如大鼠福尔马林爪模型（GP3269 ED50 = 6.4 mg / kg））中具有口服活性。但是，该化合物类别的实用性受到水溶性差的限制，这可归因于固态的平行C4和C5芳基环的堆叠（化合物1和GP3269的pH 7.4溶解度< 0.05微克/毫升）。为了增加水溶性，疏水性C 4-苯基氨基取代基被更亲水的甘氨酰胺取代。该修饰导致改善的水溶性，同时保持AK抑制效力。研究了类似物，其中甘氨酰胺部分的变化与碱基和糖的变化结合在一起。铅化合物4-N-（N-环丙基氨基甲酰基甲基）氨基-5-苯基-7-（5-脱氧-β-D-呋喃呋喃糖基）吡咯并[2,3-d]嘧啶（16c）（IC50 = 3 nM在pH 7.4时，水溶解度=

  DOI：

  10.1021/jm050394a
• 作为产物：
  描述：

  N-carbobenzyloxyglycine cyclopropylamide 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以100%的产率得到2-氨基-N-环丙基乙酰胺
  参考文献：
  名称：

  腺苷激酶抑制剂。6.在C4处被甘氨酰胺和相关化合物取代的5-苯基-7-（5-脱氧-β-D-核呋喃糖基）吡咯并[2,3-d]嘧啶的合成，水溶性和抗伤害作用。

  摘要：

  4-（苯氨基）-5-苯基-7-（5-脱氧-β-D-呋喃呋喃糖基）吡咯并[2,3-d]嘧啶1和相关化合物被称为“二芳基丁二醛”类似物，是腺苷激酶（AK）的有效抑制剂。 ），并且在疼痛动物模型（例如大鼠福尔马林爪模型（GP3269 ED50 = 6.4 mg / kg））中具有口服活性。但是，该化合物类别的实用性受到水溶性差的限制，这可归因于固态的平行C4和C5芳基环的堆叠（化合物1和GP3269的pH 7.4溶解度< 0.05微克/毫升）。为了增加水溶性，疏水性C 4-苯基氨基取代基被更亲水的甘氨酰胺取代。该修饰导致改善的水溶性，同时保持AK抑制效力。研究了类似物，其中甘氨酰胺部分的变化与碱基和糖的变化结合在一起。铅化合物4-N-（N-环丙基氨基甲酰基甲基）氨基-5-苯基-7-（5-脱氧-β-D-呋喃呋喃糖基）吡咯并[2,3-d]嘧啶（16c）（IC50 = 3 nM在pH 7.4时，水溶解度=

  DOI：

  10.1021/jm050394a

文献信息

• SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160326125A1

  公开（公告）日：2016-11-10

  The present invention provides compounds of Formula (I) as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used medicaments.

  本发明提供了规范中定义的Formula (I)的化合物以及包含任何此类新化合物的组合物。这些化合物是内皮酶抑制剂，可用作药物。
• NITROGEN-CONTAINING FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd.

  公开号：EP3929185A1

  公开（公告）日：2021-12-29

  The present invention relates to a nitrogen-containing fused ring compound, a preparation method and use thereof. Specifically, the present invention relates to a compound having the structure of Formula (X), a stereoisomer, tautomer or mixture thereof, a pharmaceutically acceptable salt, co-crystal, polymorph or solvate thereof, or a stable isotope derivative, metabolite or prodrug thereof. The compound of the invention may have the structure of Formula (I) or Formula (II). These compounds are useful for the treatment of an abnormal cell proliferation disease (e.g., cancer).         R-L-R3     (X)

  本发明涉及一种含氮融合环化合物，其制备方法和用途。具体而言，本发明涉及具有化学式（X）结构的化合物，其立体异构体、互变异构体或它们的混合物，药学上可接受的盐、共晶体、多型体或溶剂合物，或其稳定同位素衍生物、代谢物或前药。本发明的化合物可能具有化学式（I）或化学式（II）的结构。这些化合物对于治疗异常细胞增殖疾病（例如癌症）是有用的。 R-L-R3（X）
• Synthesis and SAR studies of novel 2-(6-aminomethylaryl-2-aryl-4-oxo-quinazolin-3(4H)-yl)acetamide Vasopressin V1b receptor antagonists
  作者：Susan E. Napier、Jeffrey J. Letourneau、Nasrin Ansari、Douglas S. Auld、James Baker、Stuart Best、Leigh Campbell-Wan、Ray Chan、Mark Craighead、Hema Desai、Koc-Kan Ho、Cliona MacSweeney、Rachel Milne、J. Richard Morphy、Irina Neagu、Michael H.J. Ohlmeyer、Jack Pick、Jeremy Presland、Chris Riviello、Heather A. Zanetakos、Jiuqiao Zhao、Maria L. Webb

  DOI：10.1016/j.bmcl.2011.04.022

  日期：2011.6

  Synthesis and structure–activity relationships (SAR) of a novel series of vasopressin V1b antagonists are described. 2-(6-Aminomethylaryl-2-aryl-4-oxo-quinazolin-3(4H)-yl)acetamide have been identified with low nanomolar affinity for the V1b receptor and good selectivity with respect to related receptors V1a, V2 and OT. Optimised compound 16 shows a good pharmacokinetic profile and activity in a mechanistic

  合成和结构-活性关系（SAR）的一系列新的加压素V 1b拮抗剂。已经鉴定出2-（6-氨基甲基芳基-2-芳基-4-氧代-喹唑啉-3（4H）-基）乙酰胺对V 1b受体具有低纳摩尔摩尔亲和力，并且对相关受体V 1a，V具有良好的选择性2和OT。优化的化合物16在HPA功能障碍的机械模型中显示出良好的药代动力学特征和活性。
• Synthesis and SAR studies of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V1b receptor antagonists
  作者：Susan E. Napier、Jeffrey J. Letourneau、Nasrin Ansari、Douglas S. Auld、James Baker、Stuart Best、Leigh Campbell-Wan、Jui-Hsiang Chan、Mark Craighead、Hema Desai、Katharine A. Goan、Koc-Kan Ho、Ellen G.J. Hulskotte、Cliona P. MacSweeney、Rachel Milne、J. Richard Morphy、Irina Neagu、Michael H.J. Ohlmeyer、Ard W.M.M. Peeters、Jeremy Presland、Chris Riviello、Ge S.F. Ruigt、Fiona J. Thomson、Heather A. Zanetakos、Jiuqiao Zhao、Maria L. Webb

  DOI：10.1016/j.bmcl.2010.12.081

  日期：2011.3

  Synthesis and structure–activity relationships (SAR) of a novel series of vasopressin V1b (V3) antagonists are described. 2-(4-Oxo-2-aryl-quinazolin-3(4H)-yl)acetamides have been identified with low nanomolar affinity for the V1b receptor and good selectivity with respect to related receptors V1a, V2 and oxytocin (OT). Optimised compound 12j demonstrates a good pharmacokinetic profile and activity

  合成和结构-活性关系（SAR）的一系列新的加压素V 1b（V 3）拮抗剂。已确定2-（4-氧代-2-芳基-喹唑啉-3（4 H）-基）乙酰胺对V 1b受体的纳摩尔亲和力低，并且对相关受体V 1a，V 2和催产素的选择性很好（ OT）。优化的化合物12j在HPA功能障碍的机械模型中显示出良好的药代动力学特征和活性。
• Nitrogen-containing heterocyclic compound
  申请人：Matsumoto Shigemitsu

  公开号：US08772277B2

  公开（公告）日：2014-07-08

  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 wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种新型化合物，具有卓越的ERR-α调节剂活性，并可用作预防或治疗与ERR-α相关疾病的药物。本发明涉及一种由式子所表示的化合物，其中每个符号如规范中所定义，或其盐。