D-缬氨酰胺盐酸盐 | 133170-58-8

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 天然氨基酸及其衍生物
• 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: D-缬氨酰胺盐酸盐
• 中文别名: D-缬氨酸酰胺盐酸盐
• 英文名称: D-valinamide hydrochloride
• 英文别名: D-valine amide hydrochloride；(R)-2-Amino-3-methylbutanamide hydrochloride；(2R)-2-amino-3-methylbutanamide;hydrochloride
• CAS: 133170-58-8
• 化学式: C₅H₁₂N₂O*ClH
• mdl: MFCD00270619
• 分子量: 152.624
• InChiKey: XFCNYSGKNAWXFL-PGMHMLKASA-N

物化性质

• 熔点：
  >264°C (dec.)
• 溶解度：
  DMSO（少量）、甲醇（少量）、水（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  69.1
• 氢给体数：
  3
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: H-D-Val-NH2 HCl
Synonyms: R-Valinamide hydrochloride

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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-D-Val-NH2 HCl
CAS number: 133170-58-8

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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: C5H12N2O.ClH
Molecular weight: 152.6

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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, hydrogen chloride.

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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：

  D-缬氨酰胺盐酸盐 在 sodium phenoxide 、 二乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 1,4-二氧六环 、 二甲基亚砜 为溶剂， 100.0~110.0 ℃ 、101.33 kPa 条件下， 反应 40.0h， 生成 (R)-2-(6-cyano-5-(3-methylisothiazol-5-ylamino)pyridin-3-ylamino)-3-methylbutanamide
  参考文献：
  名称：

  [EN] SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS
  [FR] INHIBITEURS SUBSTITUÉS DE PICOLINAMIDE KINASE

  摘要：

  公开号：

  WO2013192046A3
• 作为产物：
  描述：

  L-缬氨酸酰胺 在 水 作用下， 以 乙醇 为溶剂， 反应 156.0h， 生成 D-缬氨酰胺盐酸盐
  参考文献：
  名称：

  在不对称 Strecker 策略范围内手性、不对称亚氨基二腈的区域选择性水合和脱保护

  摘要：

  式 RCH(CN)–NH–C(CN)R'R″（被视为 N 保护的 α-氨基腈）的不对称亚氨基二腈 (DIDN) 的受控选择性分解是先前原始不对称 Strecker 策略的关键问题我们概述了氨基酸的对映选择性合成。该策略源自 Harada 的工作，涉及 (i) 手性酮 R'R″CO 与 NH3 和 HCN 的立体选择性 Strecker 缩合，然后是 (ii) 与醛 RCHO 和 HCN 的立体选择性 Strecker 缩合，然后（ iii) DIDN 中间体的区域选择性逆向 Strecker 分解以释放目标 α-氨基腈。除了使用非常简单、廉价的环酮（例如香芹酮衍生物）作为手性助剂外，该策略的另一个巨大优势是步骤 (iii) 能够回收手性酮并因此对其进行再利用。虽然我们之前在各种条件下对步骤 (iii) 的研究，无论是在仲腈基团 RH(CN)- 水合成酰胺之前还是之后，都表明选择性不足，但我

  DOI：

  10.1002/ejoc.200600294

文献信息

• Methods and compositions for treating amyloid-related diseases
  申请人：Kong Xianqi

  公开号：US20060223855A1

  公开（公告）日：2006-10-05

  Methods, compounds, pharmaceutical compositions and kits are described for treating or preventing amyloid-related disease.

  描述了用于治疗或预防与淀粉样蛋白相关疾病的方法、化合物、药物组合物和试剂盒。
• TRPV3 Modulators
  申请人：Clapham Bruce

  公开号：US20120245124A1

  公开（公告）日：2012-09-27

  Disclosed herein are modulators of TRPV3 of formula (I) wherein X 1 , X 2 , R 1 , R 2 , R x , and n are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also presented.

  本文披露了具有如下式（I）的TRPV3调节剂，其中X1、X2、R1、R2、Rx和n如规范中定义。还提供了包含这种化合物的组合物以及使用这种化合物和组合物治疗疾病和疾病的方法。
• [EN] SELECTIVE KINASE INHIBITORS<br/>[FR] INHIBITEURS SÉLECTIFS DE KINASES
  申请人：PORTOLA PHARM INC

  公开号：WO2013078468A1

  公开（公告）日：2013-05-30

  Provided are pyrimidine compounds for inhibiting of Syk kinase, intermediates used in making such compounds, methods for their preparation, pharmaceutical compositions thereof, methods for inhibition Syk kinase activity, and methods for treating conditions mediated at least in part by Syk kinase activity.

  提供了用于抑制Syk激酶的嘧啶化合物，用于制备这些化合物的中间体，其制备方法，药物组合物，抑制Syk激酶活性的方法，以及治疗至少部分由Syk激酶活性介导的疾病的方法。
• PYRAZINE KINASE INHIBITORS
  申请人：Portola Pharmaceuticals, Inc.

  公开号：US20130131040A1

  公开（公告）日：2013-05-23

  Provided are pyrazine compounds for inhibiting of Syk kinase, intermediates used in making such compounds, methods for their preparation, pharmaceutical compositions thereof, methods for inhibition Syk kinase activity, and methods for treating conditions mediated at least in part by Syk kinase activity.

  提供了用于抑制Syk激酶的吡嗪化合物，用于制备这些化合物的中间体，它们的制备方法，药物组合物，抑制Syk激酶活性的方法，以及治疗至少在一定程度上由Syk激酶活性介导的疾病的方法。
• Dihydrothienopyrimidines for the Treatment of Inflammatory Diseases
  申请人：Pouzet Pascale

  公开号：US20080096882A1

  公开（公告）日：2008-04-24

  The invention relates to new dihydrothienopyrimidine of formula 1, as well as pharmacologically acceptable salts, diastereomers, enantiomers, racemates, hydrates or solvates thereof, wherein X is SO or SO 2 , but preferably SO, and wherein R 1 , R 2 and R 3 have the meanings given in the description, and which are suitable for the treatment of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin or eyes, diseases of the peripheral or central nervous system or cancers, as well as pharmaceutical compositions which contain these compounds.

  该发明涉及公式1的新二氢噻吡嘧啶，以及其药理学上可接受的盐、对映体、旋光异构体、消旋体、水合物或溶剂合物，其中X为SO或SO2，但最好为SO，R1、R2和R3在描述中给出的含义，并且适用于治疗呼吸道或胃肠道疾病、关节、皮肤或眼睛的炎症性疾病、外周或中枢神经系统疾病或癌症，以及含有这些化合物的药物组合物。