1,2,3-噻重氮-5-醛 - CAS号 27643-15-8

物化性质

熔点：

85 °C
沸点：

221℃
密度：

1.481
闪点：

87℃
稳定性/保质期：

如果按照规格正确使用和储存，则不会分解，请避免接触氧化物。

计算性质

辛醇/水分配系数(LogP)：

0.2
重原子数：

7
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：

71.1
氢给体数：

0
氢受体数：

4

安全信息

危险品标志：

Xi
危险类别码：

R36/37/38
海关编码：

2934999090
安全说明：

S26,S36/37/39
储存条件：

保持贮藏器密封，并将其放入一个紧密的容器中。应储存在阴凉、干燥的地方。

SDS

SDS：1a7dbcc9ca5fea6109d06729f9785d6c

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Name:	1 2 3-Thiadiazole-4-carbaldehyde 90+% Material Safety Data Sheet
Synonym:	1,2,3-Thiadiazole-4-carboxaldehyd
CAS:	27643-15-8

Section 1 - Chemical Product MSDS Name:1 2 3-Thiadiazole-4-carbaldehyde 90+% Material Safety Data Sheet
Synonym:1,2,3-Thiadiazole-4-carboxaldehyd

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
27643-15-8	1,2,3-Thiadiazole-4-carbaldehyde	90+%	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:
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.

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# 27643-15-8: 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
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 86 - 88 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:
Specific Gravity/Density:
Molecular Formula: C3H2N2OS
Molecular Weight: 114

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 27643-15-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2,3-Thiadiazole-4-carbaldehyde - 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# 27643-15-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 27643-15-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27643-15-8 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：

肼甲酰亚胺酰胺一氯化氢、 1,2,3-噻重氮-5-醛在 sodium hydroxide 作用下，以水为溶剂，以96%的产率得到4-(1,2,3-thiadiazol-4-yl)-1,1-diamino-2,3-diazabuta-1,3-diene

参考文献：

名称：

胍基的-ine互变异构现象：Az嗪互变异构体偏爱的证据

摘要：

鸟嘌呤nes已经很长时间了，在有机合成，药物化学和材料科学中有广泛的应用。然而，对其电子和结构性质的关注很少。对几种具有治疗意义的胍hydr进行的量子化学分析表明，它们均更倾向于互变异构态（约3-12 kcal / mol）。使用量子化学方法设计了一组简单且共轭的嗪，其互变异构体相对于嗪互变异构体的偏好度为3-8 kcal / mol。合成并分离了二十种新的中性状态的杂志。可变温度NMR研究表明，即使在较高温度下也没有trace互变异构体的痕迹，仍然存在嗪基互变异构体。

DOI：

10.1021/acs.joc.6b01258
作为产物：

描述：

4-异噻唑胺生成 1,2,3-噻重氮-5-醛

参考文献：

名称：

Lee,F.T.; Volpp,G.P., Journal of Heterocyclic Chemistry, 1970, vol. 7, p. 415 - 418

摘要：

DOI：
作为试剂：

描述：

吡咯、 3,5-双(叔丁基)苯甲醛在三氟化硼乙醚、 1,2,3-噻重氮-5-醛作用下，以二氯甲烷为溶剂，以12%的产率得到5,10,15,20-tetrakis-(3,5-di-tert-butylphenyl)porphyrin

参考文献：

名称：

A novel way of preparing meso-substituted ethynylporphyrins and their derivatives by using 1,2,3-thiadiazole as a protecting group

摘要：

Meso-(1,2,3-thiadiazol-4-yl) porphyrins are smoothly transformed to the corresponding ethynyl derivatives using potassium tert-butoxide as base. Some metal-catalyzed coupling reactions of these acetylenes are described. (C) 1998 Elsevier Science Ltd. All rights reserved.

DOI：

10.1016/s0040-4039(98)02247-3

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文献信息

[EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRAZOLO[1,5-A]PYRIDINE EN TANT QU'INHIBITEURS DE LA KINASE RET

申请人：ANDREWS STEVEN W

公开号：WO2018071447A1

公开（公告）日：2018-04-19

Provided herein are compounds of the Formula I and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, X1, X2, X3, X4, Ring D, and E have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

本文件提供了公式I的化合物以及立体异构体和药用可接受的盐或溶剂化物，其中A、B、X1、X2、X3、X4、环D和E具有说明书中给出的含义，它们是RET激酶的抑制剂，可用于治疗和预防可通过RET激酶抑制剂治疗的疾病，包括与RET相关疾病和失调。
N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS

申请人：BABIN Didier

公开号：US20100093668A1

公开（公告）日：2010-04-15

The disclosure relates to a compound of formula (I): wherein R, R1, R2, R3, R4, R5, R6 and Z are as defined in the specification, to compositions containing them, to processes for preparing them, and to their use in the treatment or prevention of conditions capable of being modulated by the inhibition of the activity of protein kinases.

该披露涉及到一个式（I）的化合物：其中R、R1、R2、R3、R4、R5、R6和Z如规范中所定义，以及包含它们的组合物，制备它们的过程，以及它们在治疗或预防能够通过抑制蛋白激酶活性而调节的疾病中的使用。
Multiple 1,2,3-thiadiazoles

作者：Mousa Al-Smadi、Norbert Hanold、Herbert Meier

DOI：10.1002/jhet.5570340243

日期：1997.3

A series of compounds 3a-d,i-n with two or three 1,2,3-thiadiazole rings, useful for photocrosslinking processes, was prepared from the di- or triketones 1a-d,i-n via the corresponding hydrazones 2a-d,i-n by applying the Hurd-Mori method. A special synthetic sequence, 1e, 2e, 3e, 3f/3g, was elaborated for the olefinic system 3h.

由二酮或三酮1a-d，in通过相应的hydr 2a-d，in制备了具有两个或三个1,2,3-噻二唑环的一系列化合物3a-d，可用于光交联过程。应用Hurd-Mori方法。为烯烃体系3h拟定了特殊的合成顺序1e，2e，3e，3f / 3g 。
Optimization of Imidazo[4,5-<i>b</i>]pyridine-Based Kinase Inhibitors: Identification of a Dual FLT3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical Development Candidate for the Treatment of Acute Myeloid Leukemia

作者：Vassilios Bavetsias、Simon Crumpler、Chongbo Sun、Sian Avery、Butrus Atrash、Amir Faisal、Andrew S. Moore、Magda Kosmopoulou、Nathan Brown、Peter W. Sheldrake、Katherine Bush、Alan Henley、Gary Box、Melanie Valenti、Alexis de Haven Brandon、Florence I. Raynaud、Paul Workman、Suzanne A. Eccles、Richard Bayliss、Spiros Linardopoulos、Julian Blagg

DOI：10.1021/jm300952s

日期：2012.10.25

children with acute myeloid leukemia (AML), conferring a poor prognosis in both age groups. In an in vivo setting, 27e strongly inhibited the growth of a FLT3-ITD-positive AML human tumor xenograft (MV4–11) following oral administration, with in vivo biomarker modulation and plasma free drug exposures consistent with dual FLT3 and Aurora kinase inhibition. Compound 27e, an orally bioavailable dual FLT3 and

对基于咪唑并[4,5 - b ]吡啶的系列极光激酶抑制剂进行优化，鉴定出 6-chloro-7-(4-(4-chlorobenzyl)pirazin-1-yl)-2-(1, 3-dimethyl-1 H -pyrazol-4-yl)-3 H -imidazo[4,5- b ]pyridine ( 27e )，一种强效的 Aurora 激酶抑制剂 (Aurora-A K d = 7.5 nM, Aurora-B K d = 48 nM)、FLT3 激酶 ( K d = 6.2 nM) 和 FLT3 突变体，包括 FLT3-ITD ( K d = 38 nM) 和 FLT3(D835Y) ( K d = 14 nM)。FLT3-ITD 引起组成型 FLT3 激酶激活，在 20-35% 的成人和 15% 的急性髓性白血病 (AML) 患儿中检测到，这两个年龄组的预后都很差。在体内环境中，27e在口服给药后强烈抑制FLT3
A Highly Efficient, Asymmetric Synthesis of Benzothiadiazine-Substituted Tetramic Acids: Potent Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase

作者：Duke M. Fitch、Karen A. Evans、Deping Chai、Kevin J. Duffy

DOI：10.1021/ol052371w

日期：2005.11.1

[reaction: see text] An efficient two-pot, asymmetric synthesis of benzothiadiazine-substituted tetramic acids is reported. Starting from commercially available alpha-amino acids or esters, reductive amination followed by a novel one-pot amide bond formation/Dieckmann cyclization provided the desired products in high yield and optical purity. An analogous solid-phase approach to the same targets is

[反应：见正文]据报道，高效的两锅，不对称合成苯并噻二嗪取代的四酸。从可商购获得的α-氨基酸或酯开始，进行还原胺化反应，然后进行新颖的一锅酰胺键形成/狄克曼环化反应，从而以高收率和光学纯度提供了所需的产物。还提出了针对相同目标的类似固相方法。发现这些化合物是丙型肝炎病毒RNA依赖性RNA聚合酶的有效抑制剂。

1,2,3-噻重氮-5-醛 | 27643-15-8

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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