亮氨酰胺 | 687-51-4

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 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: 亮氨酰胺
• 英文名称: H-L-Leu-NH2
• 英文别名: H-Leu-NH2；L-leucine amide；(S)-2-Amino-4-methylpentanamide；(2S)-2-amino-4-methylpentanamide
• CAS: 687-51-4
• 化学式: C₆H₁₄N₂O
• mdl: MFCD00070244
• 分子量: 130.19
• InChiKey: FORGMRSGVSYZQR-YFKPBYRVSA-N

物化性质

• 熔点：
  84-85 °C(Solv: benzene (71-43-2); ethanol (64-17-5)(10:1))
• 沸点：
  250.9±23.0 °C(Predicted)
• 密度：
  0.980±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件为2-8°C，避光，并保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: H-Leu-NH2
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: H-Leu-NH2
CAS number: 687-51-4

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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.
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: C6H14N2O
Molecular weight: 130.2

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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：

  亮氨酰胺 在 盐酸 、 水 作用下， 以 甲醇 为溶剂， 反应 49.5h， 生成 L-DAA-L-Leu
  参考文献：
  名称：

  Seven New and Two Known Lipopeptides as well as Five Known Polyketides: The Activated Production of Silent Metabolites in a Marine-Derived Fungus by Chemical Mutagenesis Strategy Using Diethyl Sulphate

  摘要：

  AD-2-1 是一种抗肿瘤真菌突变体，它是通过硫酸二乙酯诱变海洋源青霉菌 G59 获得的。在使用 K562 细胞进行的 MTT 试验中，G59 菌株原本不产生任何具有抗肿瘤活性的代谢物。在 MTT 试验和 TLC 分析的指导下，通过与对照 G59 提取物的直接比较，对新产生的代谢物进行了追踪，从突变体 AD-2-1 的提取物中分离出了七种新的（1-7）和两种已知的（8-9）脂肽，以及五种已知的多酮类化合物 10-14。通过光谱和化学证据确定了七种新化合物的结构及其绝对构型，并将其命名为青霉酰胺 A-G（1-7）。七个已知化合物被鉴定为fellutamide B (8)、fellutamide C (9)、1′-O-methylaverantin (10)、averantin (11)、averufin (12)、nidurufin (13) 和 sterigmatocystin (14)。在 MTT 试验中，1-14 对几种人类癌细胞株有不同程度的抑制作用。所有生物测定和高效液相色谱-光电二极管阵列检测器（PDAD）-紫外和高效液相色谱-电子喷雾电离（ESI）-质谱分析表明，突变体 AD-2-1 中 1-14 的产生是由原始 G59 真菌菌株中沉默代谢物的活化产生引起的。本研究结果为利用硫酸二乙酯诱变的化学诱变策略通过激活真菌分离物中的沉默代谢物来发现新化合物的有效性提供了更多实例。

  DOI：

  10.3390/md12041815
• 作为产物：
  描述：

  L-亮氨酸 在 ammonium hydroxide 、 氯化亚砜 作用下， 以 甲醇 、 水 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 96.0h， 生成 亮氨酰胺
  参考文献：
  名称：

  SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS

  摘要：

  合成方法可用于在(S)-2-氨基酸骨架或(R)-2-氨基酸骨架上构建一系列羧酰胺，具体取决于所需的最终产物的对映异构体。

  公开号：

  US20170057911A1
• 作为试剂：
  描述：

  5-benzyl-3,4-dihydro-2H-pyrrole 在 亮氨酰胺 、 streptavidin biotin-wild type 、 C₄₂H₆₄Cl₄Ir₂N₆O₄S₂ 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 以20%的产率得到
  参考文献：
  名称：

  基于生物素-链霉亲和素技术扩大人工亚胺还原酶的化学多样性

  摘要：

  我们报告了基于生物素-链霉亲和素技术的人工亚胺还原酶的优化。为了快速产生化学多样性，公开了用于形成和评估生物素化复合物的新策略。将生物素锚链束缚到Cp *部分上，可在ad 6金属上留下三个自由配位位点，用于通过各种配体的配位引入化学多样性。为了验证这一概念，筛选了34个双齿配体，并在存在21个链霉亲和素（Sav）同工型的情况下测试了6种最佳配体的选择，以制得由此产生的三支腿式钢琴凳配合物，从而实现不对称亚胺还原。对映纯α-氨基酰胺被鉴定为有前途的双齿配体：ee高达63％以[IrCp *生物素（L- ThrNH 2）Cl]⊂SavWT为催化剂，在形成1-苯基-1,2,3,4-四氢异喹啉中获得了190次转换。

  DOI：

  10.1002/cctc.201300825

文献信息

• Development and Evaluation of Novel Phosphotyrosine Mimetic Inhibitors Targeting the Src Homology 2 Domain of Signaling Lymphocytic Activation Molecule (SLAM) Associated Protein
  作者：Chi-Yuan Chu、Chun-Ping Chang、Yun-Ting Chou、Handoko、Yi-Ling Hu、Lee-Chiang Lo、Jing-Jer Lin

  DOI：10.1021/jm301610q

  日期：2013.4.11

  Specific interactions between Src homology 2 (SH2) domain-containing proteins and the phosphotyrosine-containing counterparts play significant role in cellular protein tyrosine kinase (PTK) signaling pathways. The SH2 domain inhibitors could potentially serve as drug candidates in treating human diseases. Here we have incorporated a novel phosphotyrosine mimetic, which is an unusual amino acid carrying

  含Src同源2（SH2）域的蛋白质与含磷酸酪氨酸的对应物之间的特异性相互作用在细胞蛋白质酪氨酸激酶（PTK）信号传导途径中起着重要作用。SH2域抑制剂可以潜在地作为治疗人类疾病的候选药物。在这里，我们将新型磷酸酪氨酸模拟物（一种带有环saligenyl（cycloSal）磷酸二酯部分的不寻常氨基酸）掺入二肽中，以研究其对含SH2结构域蛋白的抑制作用。还建立了基于板的测定法，以筛选破坏SLAM磷酸肽（信号淋巴细胞活化分子）与其相互作用蛋白SAP（SLAM相关蛋白）之间相互作用的抑制剂。我们用IC 50鉴定了许多抑制剂值在17–35μM的范围内，这意味着带有cycloSal磷酸二酯的氨基酸可以模拟磷酸酪氨酰残基。我们的结果也提高了将新开发的磷酸酪氨酸模拟部分整合到为其他含SH2结构域蛋白设计的抑制剂中的可能性。
• The Synthesis of α-Aminonitriles Starting from the Corresponding Amino Acids. I. Use of<i>o</i>-Nitrophenylsulfenyl as an N-Protecting Group
  作者：Katsuhiro Kawashiro、Hideyuki Yoshida、Shiro Morimoto

  DOI：10.1246/bcsj.50.2956

  日期：1977.11

  N-o-Nitrophenylsulfenylamino acid amides of glycine, alanine (DL and L), leucine (DL and L), methionine (DL), phenylalanine (DL and L), and proline (L) were dehydrated in POCl3-pyridine. The N-protected α-amino-nitriles obtained were treated with anhydrous HCl affording the corresponding α-aminonitrile hydrochlorides. The optical purity of the L-α-aminonitriles was well retained.

  甘氨酸、丙氨酸（DL 和 L）、亮氨酸（DL 和 L）、甲硫氨酸 (DL)、苯丙氨酸 (DL 和 L) 和脯氨酸 (L) 的非硝基苯硫基氨基酸酰胺在 POCl3-吡啶中脱水。得到的 N-保护的 α-氨基腈用无水 HCl 处理，得到相应的 α-氨基腈盐酸盐。L-α-氨基腈的光学纯度保持良好。
• Synthèse d'analogues structuraux de l'élédoïsine. 1^repartie: Préparation des produits intermédiaires
  作者：Ed. Sandrin、R. A. Boissonnas

  DOI：10.1002/hlca.19630460518

  日期：——

  The preparation of new dipeptides and tripeptides, which are useful intermediates in the synthesis of Eledoisin analogues, is described.

  描述了新的二肽和三肽的制备，它们是Eledoisin类似物合成中的有用中间体。
• FLAP MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20150259357A1

  公开（公告）日：2015-09-17

  The present invention relates to compounds of Formula (I), or a form thereof, wherein ring A, R 1 , R 2 , R 3 , R 3 ′, L, W, and V are as defined herein, useful as FLAP modulators. The invention also relates to pharmaceutical compositions comprising compounds of Formula (I). Methods of making and using the compounds of Formula (I) are also within the scope of the invention

  本发明涉及式（I）的化合物，或其形式，其中环A，R1，R2，R3，R3'，L，W和V如本文所定义，可用作FLAP调节剂。该发明还涉及包含式（I）化合物的药物组合物。制备和使用式（I）化合物的方法也属于本发明的范围。
• [EN] PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS<br/>[FR] PYRIDIN-2-AMIDES UTILES COMME AGONISTES DE CB2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012168350A1

  公开（公告）日：2012-12-13

  The invention relates to a compound of formula (I) wherein R1 to R4 are defined as in the description and in the claims. The compound of formula (I) can be used as a medicament.

  本发明涉及式(I)的化合物，其中R1至R4的定义如描述和权利要求中所述。式(I)的化合物可以用作药物。