叔丁基 2,7-二氮杂螺[3.5]壬烷-2-甲酸酯 盐酸盐 | 929302-18-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 中文名称: 叔丁基 2,7-二氮杂螺[3.5]壬烷-2-甲酸酯 盐酸盐
• 中文别名: 2-(叔丁氧基羰基)-2,7-二氮杂螺[3.5]壬烷盐酸盐；叔丁基2,7-二氮杂螺[3.5]壬烷-2-甲酸酯盐酸盐；2,7-二氮杂螺环[3.5]壬烷羧酸叔丁基酯盐酸盐
• 英文名称: tert-butyl 2,7-diazaspiro[3.5]nonan-2-carboxylate hydrochloride
• 英文别名: tert-Butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate hydrochloride；tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydrochloride
• CAS: 929302-18-1
• 化学式: C₁₂H₂₂N₂O₂*ClH
• 分子量: 262.78
• InChiKey: SZACTFROZQQOJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane hydrochloride
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: 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane hydrochloride
CAS number: 929302-18-1

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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, refrigerated.
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: C12H22N2O2.ClH
Molecular weight: 262.8

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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：

  叔丁基 2,7-二氮杂螺[3.5]壬烷-2-甲酸酯 盐酸盐 在 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.17h， 生成 7-甲基-2,7-二氮杂螺[3.5]壬烷
  参考文献：
  名称：

  WO2008/152394

  摘要：

  公开号：
• 作为产物：
  描述：

  N-BOC-苄基-2,7-二氮杂螺环[3.5]正壬烷 在 palladium dihydroxide 氢气 、 盐酸 作用下， 以 甲醇 、 乙醚 为溶剂， 35.0 ℃ 、379.22 kPa 条件下， 生成 叔丁基 2,7-二氮杂螺[3.5]壬烷-2-甲酸酯 盐酸盐
  参考文献：
  名称：

  WO2007/30061

  摘要：

  公开号：

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：INFLAZOME LTD

  公开号：WO2019211463A1

  公开（公告）日：2019-11-07

  The present invention relates to substituted 5-membered nitrogen containing heteroaryl compounds, such as sulfonyl triazoles, where the heteroaryl ring is further substituted, optionally via a linking group such as -NH-, with a cyclic group which in turn is substituted at the α-position. The present invention further relates to associated salts, solvates, prodrugs and pharmaceutical compositions, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by NLRP3 inhibition.

  本发明涉及取代的含氮杂环化合物，例如磺酰基三唑，其中杂环环进一步取代，可选地通过类似-NH-的连接基团，与环状基团相连，该环状基团在α-位置进一步取代。本发明还涉及相关的盐、溶剂合物、前药和药物组合物，以及这些化合物在治疗和预防医学疾病和疾病中的使用，尤其是通过NLRP3抑制。
• 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES
  申请人：Bhattacharya Samit K.

  公开号：US20110230461A1

  公开（公告）日：2011-09-22

  The present invention provides a compound of Formula (I) or a pharmaceutically salt thereof wherein R 1 , R 2 , Ra, L, Z, Z 1 and Z 2 are as defined herein, that act as Ghrelin antagonists or inverse agonists; pharmaceutical compositions thereof; and methods of treating diseases, disorders, or conditions mediated by the antagonism of the Ghrelin receptor.

  本发明提供了一种式（I）的化合物或其药用盐，其中R1、R2、Ra、L、Z、Z1和Z2如本文所定义，其作为胃泌素拮抗剂或逆向激动剂；以及其药物组合物；以及通过胃泌素受体拮抗作用治疗疾病、紊乱或病况的方法。
• CDK激酶抑制剂
  申请人：山东轩竹医药科技有限公司

  公开号：CN104910137B

  公开（公告）日：2017-04-19

  本发明属于医药技术领域，具体涉及通式(Ⅰ)所示的CDK激酶抑制剂、其药学上可接受的盐、其酯、其溶剂化物以及他们的立体异构体，其中R1、R2、R3、R4、R5、n如说明书中所定义。本发明还涉及这些化合物的制备方法，含有这些化合物的药物制剂和药物组合物，以及该化合物、其药学上可接受的盐、其酯、其溶剂化物以及他们的立体异构体在制备治疗和/或预防由CDK激酶介导的癌症相关疾病的药物中的应用。
• [EN] ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE L'ECTONUCLÉOTIDE PYROPHOSPHATASE-PHOSPHODIESTÉRASE (ENPP-1) ET UTILISATIONS DE CES DERNIERS
  申请人：MAVUPHARMA INC

  公开号：WO2019046778A1

  公开（公告）日：2019-03-07

  Disclosed herein are methods and compounds of augmenting and enhancing the production of type I IFNs in vivo. In some embodiments, the compounds disclosed herein are ENPP-1 inhibitors, pharmaceutical compositions, and methods for the treatment of cancer or a viral infection.

  本文揭示了一种增强和促进体内I型干扰素产生的方法和化合物。在某些实施例中，本文所披露的化合物是ENPP-1抑制剂，药物组合物，以及用于治疗癌症或病毒感染的方法。
• [EN] BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS D'HÉTÉROCYCLES BICYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SCHERING CORP

  公开号：WO2010075273A1

  公开（公告）日：2010-07-01

  The present invention relates to Bicyclic Heterocycle Derivatives, compositions comprising a Bicyclic Heterocycle Derivative, and methods of using the Bicyclic Heterocycle Derivatives for treating or preventing obesity, diabetes, a metabolic disorder, a cardiovascular disease or a disorder related to the activity of a GPCR in a patient.

  本发明涉及双环杂环衍生物，包含双环杂环衍生物的组合物，以及使用双环杂环衍生物治疗或预防患者的肥胖、糖尿病、代谢紊乱、心血管疾病或与GPCR活性相关的疾病的方法。