D-环丙基甘氨酸 | 49607-01-4

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 甘氨酸类衍生物
• 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-环丙基甘氨酸
• 中文别名: D-环己基甘氨酸；(R)-环丙氨基乙酸
• 英文名称: (R)-2-amino-2-cyclopropylacetic acid
• 英文别名: (2R)-2-azaniumyl-2-cyclopropylacetate
• CAS: 49607-01-4
• 化学式: C₅H₉NO₂
• 分子量: 115.132
• InChiKey: BUSBCPMSNBMUMT-SCSAIBSYSA-N

物化性质

• 沸点：
  253.5±23.0 °C(Predicted)
• 密度：
  1.321±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 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：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: D-Cyclopropylglycine
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: D-Cyclopropylglycine
CAS number: 49607-01-4

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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: C5H9NO2
Molecular weight: 115.1

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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：

  D-环丙基甘氨酸 在 盐酸 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 生成 methyl (S)-2-(N-tert-butoxycarbonylamino)-2-cyclopropylacetate
  参考文献：
  名称：

  含氮大环类化合物及其制备方法和医药用途

  摘要：

  本发明涉及含氮大环类化合物及其制备方法和医药用途。具体地，本发明涉及通式(I)所示的含氮大环类化合物，其制备方法，含有其的药物组合物，以及其作为ALK激酶抑制剂，用于治疗与ALK激酶活性相关的疾病的用途。其中通式(I)中的各基团的定义与说明书中的定义相同。#imgabs0#

  公开号：

  CN117229295A
• 作为产物：
  描述：

  2-氨基-2-环丙基乙酸甲酯 在 papain (from Carica papaya) 盐酸 、 dithiothreitol 、 McIlvaine's buffer cont. EDTA 、 盐酸羟胺 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 57.0h， 生成 D-环丙基甘氨酸
  参考文献：
  名称：

  环丙基甘氨酸和2-环丙基-2- N -Boc-亚氨基乙酸甲酯的对映体的实用合成

  摘要：

  已详细说明了从便宜的环丙基甲基酮轻松合成三克外消旋环丙基甘氨酸的方法。用来自番木瓜的廉价木瓜蛋白酶酶解环丙基甘氨酸9的N -Boc保护的甲酯，在酸性条件下脱保护后，提供环丙基甘氨酸（8）的两种对映异构体，其对映体过量为99％或更高。此外，通过N制备新的含环丙基基团的2-环丙基-2- N -Boc-亚氨基乙酸甲酯（13）1,8-二氮杂双环[5.4.0]十一碳-7-烯（DBU）进行氯化-氯化反应，然后进行脱氯化氢反应。向13个亲核试剂中添加亲核试剂可方便地获得不寻常的，正交双保护的α，α-二氨基酸衍生物和刚性肽骨架的有趣组分。

  DOI：

  10.1002/adsc.200606038

文献信息

• [EN] DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK<br/>[FR] COMPOSÉS DE DIHYDROPYRROLONAPHTYRIDINONE COMME INHIBITEURS DE JAK
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010144486A1

  公开（公告）日：2010-12-16

  Disclosed are JAK inhibitors of formula (I) where G1, R1, R2, R3, R4, R5, R6, and R7 are defined in the specification. Also disclosed are pharmaceutical compositions, kits and articles of manufacture which contain the compounds, methods and materials for making the compounds, and methods of using the compounds to treat diseases, disorders, and conditions involving the immune system and inflammation, including rheumatoid arthritis, hematological malignancies, epithelial cancers (i.e., carcinomas), and other diseases, disorders or conditions associated with JAK.

  揭示了式(I)的JAK抑制剂，其中G1、R1、R2、R3、R4、R5、R6和R7在规范中定义。还披露了含有这些化合物的药物组合物、试剂盒和制造物品，制备这些化合物的方法和材料，以及使用这些化合物治疗涉及免疫系统和炎症的疾病、紊乱和症状的方法，包括类风湿关节炎、血液恶性肿瘤、上皮癌（即癌症）和其他与JAK相关的疾病、紊乱或症状。
• [EN] SUBSTITUTED 3, 4 - DIHYDRO - 2H - PYRIDO [1, 2 -A] PYRAZINE - 1, 6 - DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE<br/>[FR] DÉRIVÉS DE 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE SUBSTITUÉS POUVANT ÊTRE UTILISÉS POUR LE TRAITEMENT DE (ENTRE AUTRES) LA MALADIE D'ALZHEIMER
  申请人：JANSSEN PHARMACEUTICALS INC

  公开号：WO2013171712A1

  公开（公告）日：2013-11-21

  The present invention is concerned with novel substituted 3,4-dihydro-2H-pyrido[1,2- a]pyrazine-1,6-dione derivatives of Formula (I) wherein R1, R2, R3, R4, R5, Z and X have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及新颖的Formula (I)中的取代3,4-二氢-2H-吡啶并[1,2-a]吡嗪-1,6-二酮衍生物，其中R1、R2、R3、R4、R5、Z和X的含义如权利要求中所定义。根据本发明的化合物可用作γ-分泌酶调节剂。本发明还涉及制备这种新颖化合物的方法，包括将这些化合物作为活性成分的药物组合物，以及将这些化合物用作药物的用途。
• [EN] HETEROARYL BTK INHIBITORS<br/>[FR] INHIBITEURS HÉTÉROARYLES DE BTK
  申请人：BIOGEN IDEC INC

  公开号：WO2011029043A1

  公开（公告）日：2011-03-10

  The present invention provides compounds useful as inhibitors of Btk, compositions thereof, and methods of using the same.

  本发明提供了作为Btk抑制剂有用的化合物，其组成物以及使用这些化合物的方法。
• [EN] CERTAIN 1-(D-CYCLOPROPYLGLYCINYL)-4-(PIPERIDIN-4-YL)PIPERAZINE COMPOUNDS AS INHIBITORS OF THE SERINE PROTEASE FACTOR XA<br/>[FR] COMPOSES 1-(D-CYCLOPROPYLGLYCINYL)-4-(PIPERIDIN-4-YL)PIPERAZINE EN TANT QU'INHIBITEURS DU FACTEUR XA DE LA SERINE PROTEASE
  申请人：LILLY CO ELI

  公开号：WO2003084929A1

  公开（公告）日：2003-10-16

  The compounds of formula (I) in which R represents a hydrogen atom or a fluorine atom, or a pharmaceutically acceptable salt thereof are Factor Xa inhibitors useful in the treatment of thrombotic disorders.

  式（I）中R代表氢原子或氟原子的化合物，或其药用盐是治疗血栓性疾病中有用的因子Xa抑制剂。
• [EN] MACROCYCLIC COMPOUNDS FOR TREATING DISEASE<br/>[FR] COMPOSÉS MACROCYCLIQUES POUR LE TRAITEMENT DE MALADIE
  申请人：TP THERAPEUTICS INC

  公开号：WO2019126121A1

  公开（公告）日：2019-06-27

  The present disclosure relates to certain macrocyclic derivatives, pharmaceutical compositions containing them, and methods of using them to treat disease, such as cancer.

  本公开涉及某些大环衍生物，含有它们的药物组合物，以及使用它们治疗疾病（如癌症）的方法。