叔丁基2,6-二氮杂螺[3.4]辛烷-6-甲酸酯 | 885270-86-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 叔丁基2,6-二氮杂螺[3.4]辛烷-6-甲酸酯
• 中文别名: 2,6-二氮杂螺[3.4]辛烷-6-羧酸叔丁酯
• 英文名称: tert-butyl 2,6-diazaspiro[3.4]octane-6-carboxylate
• 英文别名: 6-Boc-2,6-diazaspiro[3.4]octane
• CAS: 885270-86-0
• 化学式: C₁₁H₂₀N₂O₂
• 分子量: 212.292
• InChiKey: BGUYAMZPJMTFRU-UHFFFAOYSA-N

物化性质

• 沸点：
  301.3±35.0 °C(Predicted)
• 密度：
  1.10

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 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: tert-Butyl 2,6-diazaspiro[3.4]octane-6-carboxylate
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: tert-Butyl 2,6-diazaspiro[3.4]octane-6-carboxylate
CAS number: 885270-86-0

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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: C11H20N2O2
Molecular weight: 212.3

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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

制备方法与用途

简介

哌嗪、吗啉是小分子药物中常见的结构片段。2,6-二氮杂螺[3,4]环辛烷四元螺环衍生物作为其类似物，在药物化学领域具有良好的应用前景。叔丁基2,6-重氮螺[3.4]辛烷-6-羧酸酯是常用的化学合成中间体。

用途

以叔丁基2,6-重氮螺[3.4]辛烷-6-羧酸酯为试剂，可以合成螺二胺-二芳基酮肟衍生物，这种化合物作为黑色素浓缩激素（MCH-1R）拮抗剂；此外，它也可用作合成二氢异吲哚羧基酰胺衍生物的试剂，并作为NAMPT和ROCK抑制剂。

反应信息

• 作为反应物：
  描述：

  叔丁基2,6-二氮杂螺[3.4]辛烷-6-甲酸酯 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.5h， 生成 7-methanesulfonyl-2,7-diazaspiro[3.4]octane-2-carboxylic acid benzyl ester
  参考文献：
  名称：

  芳基取代的氨基四氢吡喃类化合物及其用途

  摘要：

  本发明涉及一种芳基取代的氨基四氢吡喃类化合物及其用途，进一步涉及包含所述化合物的药物组合物。本发明所述化合物或所述药物组合物可以用作二肽基肽酶‑IV(DPP‑IV)抑制剂。

  公开号：

  CN109928971A
• 作为产物：
  描述：

  2,6-二氮杂螺[3.4]辛烷-6-羧酸叔丁酯草酸盐 在 碳酸氢钠 作用下， 以 水 为溶剂， 反应 1.5h， 以80%的产率得到叔丁基2,6-二氮杂螺[3.4]辛烷-6-甲酸酯
  参考文献：
  名称：

  芳基取代的氨基四氢吡喃类化合物及其用途

  摘要：

  本发明涉及一种芳基取代的氨基四氢吡喃类化合物及其用途，进一步涉及包含所述化合物的药物组合物。本发明所述化合物或所述药物组合物可以用作二肽基肽酶‑IV(DPP‑IV)抑制剂。

  公开号：

  CN109928971A

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。
• Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling
  作者：Jason R. Abbott、Timothy R. Hodges、R. Nathan Daniels、Pratiq A. Patel、J. Phillip Kennedy、Jennifer E. Howes、Denis T. Akan、Michael C. Burns、Jiqing Sai、Tammy Sobolik、Yugandhar Beesetty、Taekyu Lee、Olivia W. Rossanese、Jason Phan、Alex G. Waterson、Stephen W. Fesik

  DOI：10.1021/acs.jmedchem.8b00360

  日期：2018.7.26

  Deregulated RAS activity, often the result of mutation, is implicated in approximately 30% of all human cancers. Despite this statistic, no clinically successful treatment for RAS-driven tumors has yet been developed. One approach for modulating RAS activity is to target and affect the activity of proteins that interact with RAS, such as the guanine nucleotide exchange factor (GEF) son of sevenless

  RAS 活性失调通常是突变的结果，约 30% 的人类癌症与此有关。尽管有这一统计数据，但尚未开发出针对 RAS 驱动肿瘤的临床成功治疗方法。调节 RAS 活性的一种方法是靶向并影响与 RAS 相互作用的蛋白质的活性，例如七同源物 1 (SOS1) 的鸟嘌呤核苷酸交换因子 (GEF)。在这里，我们报告了吲哚系列化合物的构效关系 (SAR)。使用基于结构的设计，我们系统地探索了吲哚核、悬垂氨基酸部分以及连接这两个片段的连接单元的取代模式。一流的化合物可在体外以亚微摩尔浓度激活核苷酸交换过程，提高 HeLa 细胞中活性 RAS-GTP 的水平，并引发丝裂原激活蛋白激酶 - 细胞外调节激酶 (MAPK-ERK) 通路中的信号传导变化，导致较高化合物浓度下pERK1/2 T202/Y204蛋白水平降低。
• PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME
  申请人：ABIDE THERAPEUTICS, INC.

  公开号：US20190202801A1

  公开（公告）日：2019-07-04

  Provided herein are piperazine carbamates and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of MAGL and/or ABHD6. Furthermore, the subject compounds and compositions are useful for the treatment of pain.

  本文提供了哌嗪氨基甲酸酯和包含该化合物的药物组合物。所述化合物和组合物可用作MAGL和/或ABHD6的调节剂。此外，所述化合物和组合物可用于治疗疼痛。
• PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE
  申请人：GENENTECH, INC.

  公开号：US20130079321A1

  公开（公告）日：2013-03-28

  Pyrazol-4-yl-heterocyclyl-carboxamide compounds of Formula I, including stereoisomers, geometric isomers, tautomers, and pharmaceutically acceptable salts thereof, wherein X is thiazolyl, pyrazinyl, pyridinyl, or pyrimidinyl, are useful for inhibiting Pim kinase, and for treating disorders such as cancer mediated by Pim kinase. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Formula I中的吡唑-4-基杂环基-羧酰胺化合物，包括其立体异构体、几何异构体、互变异构体和药学上可接受的盐，其中X为噻唑基、吡啶基、吡啶基或嘧啶基，用于抑制Pim激酶，并用于治疗由Pim激酶介导的癌症等疾病。公开了使用Formula I化合物进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这类疾病或相关病理条件的方法。
• AUTOTAXIN INHIBITORS AND USES THEREOF
  申请人：Fronthera U.S. Pharmaceuticals LLC

  公开号：US20190367515A1

  公开（公告）日：2019-12-05

  Described herein are methods and compositions for the treatment of conditions, diseases, or disorders associated with autotaxin activity. The methods and compositions disclosed herein include the use of at least one autotaxin inhibitor compound.

  本文描述了用于治疗与自体磷脂酶活性相关的疾病、疾病或疾病的方法和组合物。本文披露的方法和组合物包括至少一种自体磷脂酶抑制剂化合物的使用。