哒嗪-3-甲醛 - CAS号 60170-83-4

物化性质

熔点：

47 °C
沸点：

300.4±15.0 °C(Predicted)
密度：

1.234±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

-0.4
重原子数：

8
可旋转键数：

1
环数：

1.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

42.8
氢给体数：

0
氢受体数：

3

安全信息

危险品标志：

Xi
安全说明：

S26,S37/39
危险类别码：

R36/37/38
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

SDS

SDS：c870af1d23f92822b7b1304857879a1a

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Name:	3-Pyridazinecarbaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	60170-83-4

Section 1 - Chemical Product MSDS Name:3-Pyridazinecarbaldehyde 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
60170-83-4	3-Pyridazinecarbaldehyde	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. 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:
Treat symptomatically and supportively.

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under nitrogen.

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# 60170-83-4: Personal Protective Equipment Eyes: Not available.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid or liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H4N2O
Molecular Weight: 108.1

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 60170-83-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Pyridazinecarbaldehyde - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

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

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 60170-83-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 60170-83-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 60170-83-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

哒嗪-3-甲醛在 sodium hydride 、 sodium hydroxide 作用下，以四氢呋喃、乙醇、水、 mineral oil 为溶剂，反应 4.5h，生成 (E)-3-(3-哒嗪基)丙烯酸

参考文献：

名称：

DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF

摘要：

本发明涉及一组1-[(E)-3-(3,4,5-三甲氧基苯基)丙-2-烯酰基]-2,3-二氢吡啶-6-酮（长椒碱）衍生物、类似物及其药学上可接受的盐。本发明还涉及含有长椒碱衍生物的药物组合物和配方；以及利用这些衍生物和类似物治疗癌症、减少炎症和/或治疗自身免疫或炎症性疾病。

公开号：

US20200377510A1
作为产物：

描述：

3-(2-phenylethenyl)pyridazine 在 sodium periodate 、四氧化锇作用下，以水、丙酮、叔丁醇为溶剂，反应 48.0h，以81%的产率得到哒嗪-3-甲醛

参考文献：

名称：

Synthesis and structure–activity relationships of amide derivatives of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene)acetic acid as selective arginine vasopressin V2 receptor agonists

摘要：

A series of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene)acetamide derivatives was synthesized, and their structure-activity relationships were examined in order to identify potent and selective arginine vasopressin V-2 receptor agonists. Attempts to substitute other chemical groups in place of the 2-pyridilmethyl moiety of 1a led to the discovery that potent V-2 binding affinity could be obtained with a wide range of functional groups. This structural tolerance allowed for the manipulation of other attributes, such as selectivity against V-1a receptor affinity or avoidance of the undesirable inhibition of cytochrome P450 (CYP), without losing potent affinity for the V-2 receptor. Some representative compounds obtained in this study were also found to decrease urine volume in awake rats. (C) 2009 Elsevier Ltd. All rights reserved.

DOI：

10.1016/j.bmc.2009.03.001

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文献信息

Pyridazines. 63. Novel thiosemicarbazones derived from formyl- and acyldiazines: synthesis, effects on cell proliferation, and synergism with antiviral agents

作者：Johnny Easmon、Gottfried Heinisch、Wolfgang Holzer、Brigitte Rosenwirth

DOI：10.1021/jm00095a027

日期：1992.8

with the above mentioned antiviral drugs. Our results do not support the previously expressed opinion that TSC's are selective antiviral agents. In our test systems no evidence for inhibition of virus-induced cytopathic effect was obtained. The TSC derivatives exhibited a broad range of cytotoxic effects, some at concentrations considerably below those reported to have antiviral efficacy. Several of our

衍生自各种烷基二嗪基（3-哒嗪基，4-嘧啶基，2-吡嗪基）酮和3-哒嗪甲醛的一系列新型硫代半咔唑（TSC）的合成及其对单纯疱疹病毒（HSV）和人类免疫缺陷病毒（HIV）的评估）以及确定其细胞毒性的方法。此外，还研究了这种TSC与著名的抗病毒药无环鸟苷（ACV）和3'-叠氮基3'-脱氧胸苷（AZT）联合使用的效果。在我们的实验条件下，即确定病毒对HSV-1感染HUT78细胞和MT-1细胞感染HIV-1的细胞病变作用，任何TSC都无法检测到抗病毒活性。然而，观察到了对这些快速生长的T4淋巴细胞细胞系增殖的显着影响。可以建立关于这些细胞毒性作用的明确的结构-活性关系：与吡啶，吡嗪或嘧啶衍生的TSC相比，所研究的大多数3-哒嗪基同类物的细胞毒性较小；在这些化合物中将甲基引入哒嗪系统的C-6或延长酰基部分基本上没有影响；所有带有N，N-二甲基氨基或环氨基取代基的化合物的毒性要比带有NH 2或NHR取
[EN] BIARYL PYRAZOLES AS NRF2 REGULATORS<br/>[FR] BIARYL PYRAZOLES UTILISÉS COMME RÉGULATEURS DE NRF2

申请人：GLAXOSMITHKLINE IP DEV LTD

公开号：WO2017060854A1

公开（公告）日：2017-04-13

The present invention relates to biaryl pyrazole compounds, methods of making them, pharmaceutical compositions containing them and their use as NRF2 regulators.

本发明涉及双芳基吡唑化合物、它们的制备方法、含有它们的药物组合物及其作为NRF2调节剂的应用。
[EN] DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF<br/>[FR] DÉRIVÉS DE PIPERLONGUMINE ET LEURS UTILISATIONS

申请人：AURANSA INC

公开号：WO2019103897A1

公开（公告）日：2019-05-31

The present invention relates to a group of 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3- dihydropyridin-6-one (piperlongumine) derivatives, analogs and pharmaceutically acceptable salts thereof. The present invention also relates to processes for preparing the same; a pharmaceutical composition and formulation containing a derivative of piperlogumine; and use of the derivatives and analogs for treating cancer.

本发明涉及一组1-[(E)-3-(3,4,5-三甲氧基苯基)丙-2-烯酰基]-2,3-二氢吡啶-6-酮（长椒碱）衍生物、类似物及其药学上可接受的盐。本发明还涉及制备这些衍生物的方法；含有长椒碱衍生物的药物组合物和配方；以及利用这些衍生物和类似物治疗癌症。
Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein−Protein Interaction

作者：David Norton、William G. Bonnette、James F. Callahan、Maria G. Carr、Charlotte M. Griffiths-Jones、Tom D. Heightman、Jeffrey K. Kerns、Hong Nie、Sharna J. Rich、Caroline Richardson、William Rumsey、Yolanda Sanchez、Marcel L. Verdonk、Henriëtte M. G. Willems、William E. Wixted、Lawrence Wolfe、Alison J.-A. Woolford、Zining Wu、Thomas G. Davies

DOI：10.1021/acs.jmedchem.1c01351

日期：2021.11.11

oxidative stress. The protein KEAP1, which regulates NRF2, is a key point for pharmacological intervention, and we recently described the use of fragment-based drug discovery to develop a tool compound that directly disrupts the protein−protein interaction between NRF2 and KEAP1. We now present the identification of a second, chemically distinct series of KEAP1 inhibitors, which provided an alternative

NRF2 介导的细胞保护反应是细胞稳态的核心，人们越来越关注开发这种途径的小分子激活剂作为慢性氧化应激疾病的治疗剂。调节 NRF2 的蛋白质 KEAP1 是药理学干预的关键点，我们最近描述了使用基于片段的药物发现来开发一种工具化合物，该化合物直接破坏 NRF2 和 KEAP1 之间的蛋白质-蛋白质相互作用。我们现在提出了第二个化学上不同系列的 KEAP1 抑制剂的鉴定，它为先导优化提供了另一种化学类型。来自我们原始片段筛选的药效学信息用于通过数据库搜索识别新的命中物质，并将其演变成具有高靶标亲和力和基于细胞活性的新先导物质。我们强调从基于片段的方法中获得的知识如何用于集中额外的筛选活动，以便通过快速识别新化学系列来降低项目风险。
[EN] SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME<br/>[FR] COMPOSÉS SPIROCYCLIQUES ET PROCÉDÉS DE PRÉPARATION ET D'UTILISATION DE CEUX-CI

申请人：ABIDE THERAPEUTICS INC

公开号：WO2019046318A1

公开（公告）日：2019-03-07

Provided herein are compounds and compositions useful as modulators of MAGL. Furthermore, the subject compounds and compositions are useful for the treatment of pain.

本文提供的化合物和组合物可用作MAGL的调节剂。此外，这些化合物和组合物可用于治疗疼痛。

哒嗪-3-甲醛 | 60170-83-4

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

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