2-叔丁氧羰基-2,7-二氮杂螺[3.5]壬烷 | 236406-55-6

• 物质功能分类: 有机原料 - 螺环化合物
• 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: 2-叔丁氧羰基-2,7-二氮杂螺[3.5]壬烷
• 中文别名: 2-(叔丁氧基羰基)-2,7-二氮杂螺[3.5]壬烷；叔丁基2,7-二氮杂螺[3.5]壬烷-2-甲酸酯；2-叔丁氧羰基-2,7-二氮杂螺
• 英文名称: tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate
• 英文别名: 2,7-diazaspiro[3.5]nonane-2-carboxylic acid tert-butyl ester；2-tert-butoxycarbonyl-2,7-diazaspiro[3.5]nonane；tert-butyl 2,7-diazaspiro[3.5]nonan-2-carboxylate；2-Boc-2,7-diazaspiro[3,5]nonane
• CAS: 236406-55-6
• 化学式: C₁₂H₂₂N₂O₂
• mdl: MFCD09834803
• 分子量: 226.319
• InChiKey: HWLNKJXLGQVMJH-UHFFFAOYSA-N

物化性质

• 沸点：
  319.4±42.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)
• pKa：
  10.78±0.20 (Predicted,Most Basic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 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: 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H412: Harmful to aquatic life with long lasting effects
P273: Avoid release to the environment

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Section 3. Composition/information on ingredients.
Ingredient name: 2-(tert-Butoxycarbonyl)-2,7-diazaspiro[3.5]nonane
CAS number: 236406-55-6

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C12 H22 N2 O2
Molecular weight: 226.3

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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

反应信息

• 作为反应物：
  描述：

  2-叔丁氧羰基-2,7-二氮杂螺[3.5]壬烷 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium acetate 、 titanium(IV)isopropoxide 作用下， 以 1,4-二氧六环 、 甲醇 、 二氧化碳 、 1,2-二氯乙烷 为溶剂， 反应 22.0h， 生成 tert-butyl 2-[(R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
  参考文献：
  名称：

  2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES

  摘要：

  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。

  公开号：

  US20110230461A1
• 作为产物：
  描述：

  N-BOC-苄基-2,7-二氮杂螺环[3.5]正壬烷 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 96.0h， 生成 2-叔丁氧羰基-2,7-二氮杂螺[3.5]壬烷
  参考文献：
  名称：

  [EN] SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS
  [FR] ANALOGUES DE NUCLÉOSIDES SUBSTITUÉS DESTINÉS À ÊTRE UTILISÉS EN TANT QU'INHIBITEURS DE PRMT5

  摘要：

  本发明涉及式(I)的新型取代核苷类似物，其中变量具有如权利要求中所定义的含义。根据本发明的化合物作为PRMT5抑制剂是有用的。本发明进一步涉及包含所述化合物作为活性成分的药物组合物，以及将所述化合物用作药物的应用。

  公开号：

  WO2017153186A1

文献信息

• 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。
• Spirocyclic compounds
  申请人：Berk C. Scott

  公开号：US20070117824A1

  公开（公告）日：2007-05-24

  The present invention relates to a novel class of substituted spirocyclic compounds. These compounds can inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the compounds of the instant invention and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of these compounds in vivo.

  本发明涉及一类新型的取代螺环化合物。这些化合物可以抑制组蛋白去乙酰化酶，并适用于在选择性诱导终末分化、阻止肿瘤细胞生长和/或凋亡的过程中使用，从而抑制这些细胞的增殖。因此，本发明的化合物在治疗具有肿瘤特征的患者方面是有用的，这些肿瘤具有肿瘤细胞的增殖。本发明的化合物还可能在预防和治疗TRX介导的疾病方面有用，例如自身免疫、过敏和炎症性疾病，以及预防和/或治疗中枢神经系统（CNS）疾病，如神经退行性疾病。本发明还提供了包括本发明化合物的药物组合物和这些药物组合物的安全用药方案，这些方案易于遵循，并在体内产生这些化合物的治疗有效量。
• 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。
• 一种BET家族溴域抑制剂环衍生物及其制备方法和药学上的应用
  申请人：四川海思科制药有限公司

  公开号：CN112390785A

  公开（公告）日：2021-02-23

  本发明涉及一种通式(I)所述的化合物或者其立体异构体、氘代物、溶剂化物、前药、代谢产物、药学上可接受的盐或共晶，及其中间体和制备方法，以及在抑制或降解BET家族溴域相关疾病中的用途。B‑L‑K (I)。
• [EN] COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS<br/>[FR] AGENTS PHARMACEUTIQUES EN COMBINAISON EN TANT QU'INHIBITEURS DE RSV
  申请人：ENANTA PHARM INC

  公开号：WO2019067864A1

  公开（公告）日：2019-04-04

  The present invention relates to pharmaceutical agents administered to a subject either in combination or in series for the treatment of a Respiratory Syncytial Virus (RSV) infection, wherein treatment comprises administering a compound effective to inhibit the function of the RSV and an additional compound or combinations of compounds having anti-RSV activity.

  本发明涉及用于治疗呼吸道合胞病毒（RSV）感染的药物剂，该药物剂可以单独或连续给予受试者，治疗包括给予一种有效抑制RSV功能的化合物以及具有抗RSV活性的另一种化合物或化合物组合。