(1S,2R)-2-氨基环戊烷甲酸 | 64191-14-6

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 其他氨基酸衍生物
• 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: (1S,2R)-2-氨基环戊烷甲酸
• 英文名称: (1S,2R)-2-amino-1-cyclopentanecarboxylic acid
• 英文别名: (+)-(1S,2R)-2-amino-cyclopentane-1-carboxylic acid；(1S,2R)-2-aminocyclopentanecarboxylic acid；cis-2-amino-1-cyclopentane-carboxylic acid；(1S,2R)-2-azaniumylcyclopentane-1-carboxylate
• CAS: 64191-14-6
• 化学式: C₆H₁₁NO₂
• 分子量: 129.159
• InChiKey: JWYOAMOZLZXDER-CRCLSJGQSA-N

物化性质

• 熔点：
  218-219 °C (sublm)(Solv: water (7732-18-5); acetone (67-64-1))
• 沸点：
  264.7±33.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

SDS

Name:	(+)-(1S 2R)-2-Amino-1-Cyclopentanecarboxylic Acid Material Safety Data Sheet
Synonym:	None Known
CAS:	64191-14-6

Section 1 - Chemical Product MSDS Name:(+)-(1S 2R)-2-Amino-1-Cyclopentanecarboxylic Acid Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64191-14-6	(+)-(1S,2R)-2-Amino-1-Cyclopentanecarb	ca. 100	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Non-irritating to the eyes.
Skin:
Non-irritating to the skin. May be harmful if absorbed through the skin.
Ingestion:
The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 64191-14-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystals
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 218 - 220 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C6H11NO2
Molecular Weight: 129.16

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 64191-14-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(+)-(1S,2R)-2-Amino-1-Cyclopentanecarboxylic Acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 64191-14-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64191-14-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64191-14-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (1S,2R)-2-氨基环戊烷甲酸 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以93.1 %的产率得到cis-(2-Aminocyclopentyl)methanol
  参考文献：
  名称：

  一种羟甲基取代的N,N-二甲基脂环胺的制备方法

  摘要：

  本申请涉及医药分子砌块制备领域，具体公开了一种羟甲基取代的N,N‑二甲基脂环胺的制备方法。羟甲基取代的N,N‑二甲基脂环胺的制备方法，包括如下步骤：还原反应：在‑30‑0℃下，将通式(Ⅰ)表示的化合物、溶剂和氢化铝锂混合，升温至20‑28℃搅拌2‑3h，升温至60‑80℃反应12‑17h，干燥，过滤，洗涤得到中间体(Ⅰ)；N‑甲基化反应：将中间体(Ⅰ)、甲醛水溶液和甲酸水溶液混合，反应，打浆，过滤，浓缩，重结晶，得到中间体(Ⅱ)，将中间体(Ⅱ)与碳酸氢钠混合，浓缩，用二氯甲烷‑甲醇混合液溶解浓缩液，过滤，浓缩滤液，得到羟甲基取代的N,N‑二甲基脂环胺； 通式(Ⅰ)；通式(Ⅰ)中，n为0或1。

  公开号：

  CN115974703A
• 作为产物：
  描述：

  1-环戊烯甲醛 在 四氢吡咯 、 重铬酸吡啶 、 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 20.0~65.0 ℃ 、6.08 MPa 条件下， 反应 124.0h， 生成 (1S,2R)-2-氨基环戊烷甲酸
  参考文献：
  名称：

  α,β-二取代-β-氨基酸的立体选择性有机催化方法：一种短的对映选择性合成顺铂

  摘要：

  α-支链 α,β-不饱和醛已在有机催化串联迈克尔加成/与 N-（苄氧羰基）羟胺的环化中进行了测试，该反应迄今为止仅限于 α-未取代的烯醛。以环戊烯-2-甲醛为原料，并使用二苯基脯氨醇三甲基甲硅烷基醚作为手性胺催化剂，该方法开发了一种实用的、高产率（93-98% 总产率，三步）和高对映选择性（高达98:2 er) 环状 β-氨基酸顺喷菌素的路线，与之前描述的这种生物活性天然产物的不对称合成相比具有优势。当使用无环 α-支链 α,β-不饱和醛作为底物时，反应产率取决于醛的取代模式，并获得顺式和反式异构体的混合物。

  DOI：

  10.1002/ejoc.201300197

文献信息

• Beta-carbolines useful for treating inflammatory disease
  申请人：Hepperle E. Michael

  公开号：US20050239781A1

  公开（公告）日：2005-10-27

  This invention provides beta-carboline compounds of formula III-A-aa: wherein Q, G, R 1 , R 2 , R 3 , and R 6b are as described in the specification. The compounds are useful for treating diseases such as inflammatory diseases and cancer.

  这项发明提供了III-A-aa式的β-咔啉化合物： 其中Q、G、R1、R2、R3和R6b如规范中所述。这些化合物可用于治疗炎症性疾病和癌症等疾病。
• New thiadiazole derivatives
  申请人：Almirall, S.A.

  公开号：EP2305660A1

  公开（公告）日：2011-04-06

  The present invention relates to thiadiazole derivatives of formula (I), to processes for their preparation and to pharmaceutical compositions containing them. These compounds are potent agonists of S1P1 receptors and thus, they are useful in the treatment, prevention or suppression of diseases and disorders known to be susceptible to improvement by sphingosine-1-phosphate receptors agonists (S1P1), such as autoimmune diseases, chronic immune and inflammatory diseases, transplant rejection, malignant neoplastic diseases, angiogenic-related disorders, pain, neurological diseases, viral and infectious diseases.

  本发明涉及式(I)的噻二唑衍生物，它们的制备过程以及包含它们的药物组合物。这些化合物是S1P1受体的强激动剂，因此，它们可用于治疗、预防或抑制那些已知可通过鞘氨醇-1-磷酸受体激动剂（S1P1）改善的疾病和失调，例如自身免疫性疾病、慢性免疫和炎症性疾病、移植排斥反应、恶性肿瘤疾病、与血管生成相关的失调、疼痛、神经系统疾病、病毒和感染性疾病。
• [EN] PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] DÉRIVÉS DE PIPÉRIDINE EN TANT QUE MODULATEURS D'ACTIVITÉ DE RÉCEPTEUR DE CHIMIOKINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009015166A1

  公开（公告）日：2009-01-29

  The present application describes modulators of MIP-1 of formula (I) : or stereoisomers or pharmaceutically acceptable salts thereof, wherein m, Q, T, W, Z, R1, R3, R4, R5, R5a and R5b, are as set forth above. In addition, methods of treating and preventing inflammatory diseases such as asthma and allergic diseases, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis using the modulators are disclosed.

  本申请描述了公式（I）的MIP-1调节剂：或其立体异构体或药用可接受的盐，其中m、Q、T、W、Z、R1、R3、R4、R5、R5a和R5b如上所述。此外，还公开了利用这些调节剂治疗和预防哮喘和过敏性疾病等炎症性疾病，以及类风湿关节炎和动脉粥样硬化等自身免疫病理的方法。
• 2,4-diamino-pyrimidines as aurora inhibitors
  申请人：Zahn Karl Stephan

  公开号：US20070032514A1

  公开（公告）日：2007-02-08

  The present invention encompasses compounds of general formula (1) wherein R 1 to R 3 are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and the use thereof for preparing a pharmaceutical composition having the above-mentioned properties.

  本发明涵盖了一般式（1）的化合物 其中 R 1 至 R 3 如权利要求书中所定义，适用于治疗以细胞过度或异常增殖为特征的疾病，并用于制备具有上述特性的药物组合物。
• [EN] BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE<br/>[FR] BETA-CARBOLINES UTILES POUR TRAITER UNE MALADIE INFLAMMATOIRE
  申请人：MILLENNIUM PHARM INC

  公开号：WO2004092167A1

  公开（公告）日：2004-10-28

  This invention provides beta-carboline compounds of formula (I) wherein Ring A is a substituted pyridinyl, pyrimidinyl, morpholinyl, piperidinyl, piperazinyl, pyrrolidinyl, pyranyl, tetrahydrofuranyl, cyclohexyl, cyclopentyl or thiomorpholinyl ring and R1, R2 and R3 are as described in the specification. The compounds are IKK-2 inhibitors that are useful for treating IKK-2 mediated diseases such as inflammatory diseases and cancer.

  这项发明提供了式（I）中的β-咔啉化合物，其中环A是取代的吡啶基、嘧啶基、吗啉基、哌啶基、哌嗪基、吡咯啉基、吡喃基、四氢呋喃基、环己基、环戊基或硫代吗啉基环，R1、R2和R3如规范中所述。这些化合物是IKK-2抑制剂，可用于治疗IKK-2介导的疾病，如炎症性疾病和癌症。