D-丙氨酰胺盐酸盐 | 71810-97-4

• 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: D-丙氨酰胺盐酸盐
• 中文别名: (R)-2-氨基丙酰胺盐酸盐；D-苯丙氨酸；(2R)-2-氨基丙酰胺盐酸盐；氨基丙氨酸盐酸盐；H-D-Ala-Nh2・Hcl
• 英文名称: D-alaninamide hydrochloride
• 英文别名: (R)-2-aminopropanamide hydrochloride；(2R)-2-amino-propanamide hydrochloride；(2R)-2-aminopropanamide hydrochloride；(2R)-2-aminopropanamide;hydrochloride
• CAS: 71810-97-4
• 化学式: C₃H₈N₂O*ClH
• mdl: MFCD00039093
• 分子量: 124.57
• InChiKey: FIAINKIUSZGVGX-HSHFZTNMSA-N

物化性质

• 熔点：
  169 °C
• 溶解度：
  溶于水或1%醋酸

计算性质

• 辛醇/水分配系数(LogP)：
  -1.39
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  69.1
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S26,S36/37/39
• 危险类别码：
  R22,R36/37/38
• 海关编码：
  2942000000
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: D-Alaninamide HCl
Synonyms: H-D-Ala-NH2 HCl

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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: D-Alaninamide HCl
CAS number: 71810-97-4

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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: C3H8N2O.ClH
Molecular weight: 124.6

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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-丙氨酰胺盐酸盐 以 四氢呋喃 为溶剂， 以57%的产率得到(R)-propane-1,2-diamine dihydrochloride
  参考文献：
  名称：

  Methods of preparing manganese complexes of nitrogen-containing

  摘要：

  本发明涉及超氧化物歧化酶（SOD）的低分子量模拟物，其化学式如下：##STR1## 其中R、R'、R₁、R'₁、R₂、R'₂、R₃、R'₃、R₄、R'₄、R₅、R'₅、R₆、R'₆、R₇、R'₇、R₈、R'₈、R₉和R'₉以及X、Y、Z和n的定义如本文所述，可用作治疗炎症性疾病状态和紊乱、缺血/再灌注损伤、中风、动脉粥样硬化、高血压和所有其他由氧化剂引起的组织损伤或损伤的条件。

  公开号：

  US05610293A1
• 作为产物：
  描述：

  N-(叔丁氧羰基)-D-丙氨酰胺 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 D-丙氨酰胺盐酸盐
  参考文献：
  名称：

  WO2020097389A5

  摘要：

  公开号：

  WO2020097389A5

文献信息

• 含吲哚基团的α-氨基酰胺衍生物及其医药用途
  申请人：中国人民解放军军事医学科学院毒物药物研究所

  公开号：CN107522647B

  公开（公告）日：2022-03-22

  本发明涉及新的结构式I所示的含吲哚基团的α‑氨基酰胺衍生物或其药学上可接受的盐，含有这些化合物作为活性成分的药物组合物，以及所述衍生物或其药学上可接受的盐用于制备镇痛药物的用途。结构式I中，R为氢原子或C1‑C5的直链烷基或支链烷基，与R相连的碳原子的构型为R型或S型。
• [EN] ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS<br/>[FR] ARYLPYRAZOLES ET ARYLISOXAZOLES ET LEUR UTILISATION EN TANT QUE MODULATEURS DE LA PROTÉINE KINASE C (PKD)
  申请人：NOVARTIS AG

  公开号：WO2011009484A1

  公开（公告）日：2011-01-27

  The present invention provides novel organic compounds of formula (I) or (Ia): which may be inhibitors of a selective subset of kinases belonging to the AGC or calmodulin kinase family, such as for example PKD-1/2/3, inhibitors of histone deacetylase (HDAC) phosphorylation, or inhibitors of other kinases. The selectivity of which would depend on the structural variation thereof, and for treatment of a disorder or disease mediated by those selected AGC or calmodulin family kinases. These organic compounds can be used to treat various PKD associated states such as heart failure, colorectal cancer, regulation of cell growth, autoimmune disorders, or hyperproliferative skin disorders.

  本发明提供了化学式(I)或(Ia)的新型有机化合物：这些化合物可能是AGC或钙调素激酶家族中的一部分激酶的抑制剂，例如PKD-1/2/3，组蛋白去乙酰化酶（HDAC）磷酸化的抑制剂，或其他激酶的抑制剂。其选择性取决于其结构变化，用于治疗由这些选定的AGC或钙调素家族激酶介导的疾病或疾病。这些有机化合物可用于治疗各种PKD相关状态，如心力衰竭、结直肠癌、细胞生长调节、自身免疫性疾病或过度增生性皮肤疾病。
• Manganese complexes of nitrogen-containing macrocyclic ligands effective
  申请人：G. D. Searle & Co.

  公开号：US05874421A1

  公开（公告）日：1999-02-23

  The present invention is directed to low molecular weight mimics of superoxide dismutase (SOD) represented by the formula: ##STR1## wherein R, R', R.sub.1, R'.sub.1, R.sub.2, R'.sub.2, R.sub.3, R'.sub.3, R.sub.4, R'.sub.4, R.sub.5, R'.sub.5, R.sub.6, R'.sub.6, R.sub.7, R'.sub.7, R.sub.8, R'.sub.8, R.sub.9, and R'.sub.9 and X, Y, Z and n are as defined herein, useful as therapeutic agents for inflammatory disease states and disorders, ischemic/reperfusion injury, stroke, atherosclerosis, hypertension and all other conditions of oxidant-induced tissue damage or injury.

  本发明涉及超氧化物歧化酶（SOD）的低分子量模拟物，其化学式为：##STR1## 其中R、R'、R₁、R'₁、R₂、R'₂、R₃、R'₃、R₄、R'₄、R₅、R'₅、R₆、R'₆、R₇、R'₇、R₈、R'₈、R₉和R'₉以及X、Y、Z和n的定义如本文所述，可用作治疗炎症性疾病状态和紊乱、缺血/再灌注损伤、中风、动脉粥样硬化、高血压和所有其他由氧化剂引起的组织损伤或损伤的条件的治疗剂。
• Synthesis and optimization of novel α-phenylglycinamides as selective TRPM8 antagonists
  作者：Jun-ichi Kobayashi、Hideaki Hirasawa、Tetsuji Ozawa、Tomonaga Ozawa、Hiroo Takeda、Yoshikazu Fujimori、Osamu Nakanishi、Noboru Kamada、Tetsuya Ikeda

  DOI：10.1016/j.bmc.2016.11.049

  日期：2017.1

  overactive bladder and painful bladder syndrome; however, there is a potential risk of low blood pressure. We report herein the synthesis and structure–activity relationships of novel phenylglycine derivatives that led to the identification of KPR-2579 (20l), a TRPM8 selective antagonist. KPR-2579 reduced the number of icilin-induced wet-dog shakes and rhythmic bladder contraction in rats, with no negative

  瞬态受体电位褪黑素8（TRPM8）被无害的感冒和化学物质激活，该通道的拮抗剂被认为对疼痛和泌尿系统疾病有效。有人提出，TRPM8拮抗剂N-（3-氨基丙基）-2-[（（3-甲基苯基）甲基]氧基} -N-（2-噻吩甲基）苯甲酰胺盐酸盐（AMTB）可有效治疗膀胱过度活动症和膀胱疼痛综合症 但是，存在潜在的低血压风险。我们在此报告了新型苯甘氨酸衍生物的合成与结构-活性的关系，从而鉴定了TRPM8选择性拮抗剂KPR-2579（20l）。KPR-2579 减少了依西林诱导的湿狗摇动和节律性膀胱收缩的次数，在有效剂量下对心血管没有负面影响。
• Diastereoselectivity in prebiotically relevant 5(4H)-oxazolone-mediated peptide couplings
  作者：Damien Beaufils、Grégoire Danger、Laurent Boiteau、Jean-Christophe Rossi、Robert Pascal

  DOI：10.1039/c3cc49580a

  日期：——

  out as the first part of a systems chemistry investigation of potential paths for symmetry breaking. Substantial diastereomeric excesses result from a fast epimerization of the 5(4H)-oxazolone intermediate in aqueous solution.

  进行了可能的益生元肽形成反应的立体化学研究，作为系统化学研究对称断裂潜在途径的第一部分。非对映异构体的大量过量是由于5（4H）-恶唑酮中间体在水溶液中的快速差向异构化。