1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea

Basic Information

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CAS Number

950769-58-1

Molecular Formula

C29H32N6O4S

Molecular Weight

560.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1

InChI

InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)

InChIKey

CVWXJKQAOSCOAB-UHFFFAOYSA-N

LogP

5.856500000000006

Topological Polar Surface Area

106.16 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

849

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Urea,N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-N'-[4-[7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b]benzothiazol-2-yl]phenyl]-
1-(5-(tert-butyl)isoxazol-3-yl)-3-(4-(7-(2- morpholinoethoxy)benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea
Quizartinib (AC220)
1-(5-(tert-Butyl)isoxazol-3-yl)-3-(4-(7-(2-morpholinoethoxy)-benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea
AC 220
AC220 (QUIZARTINIB)
N-(5-tert-Butylisoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea
Quizartinib
Quizartinib (AC220,AC010220)
Urea,N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-N'-[4-[7-[2-(4-morpholinyl)ethoxy]imidazo [2,1-b]be...
AC-220
AC-220,AC220
AC220,Quizartinib
7LA4O6Q0D3
1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morpholin-4-Yl)ethoxy]imidazo[2,1-B][1,3]benzothiazol-2-Yl}phenyl)urea
C29H32N6O4S
N-(5-(1,1-Dimethylethyl)isoxazol-3-yl)-N'-(4-(7-(2-(morpholin-4-yl)ethoxy)imidazo(2,1-b)benzothiazol-2
N-[5-(1,1-Dimethylethyl)-3-isoxazolyl]-N′-[4-[7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b]benzothiazol-2-yl]phenyl]urea (ACI)
AC 010220
N-(5-tert-Butylisoxazol-3-yl)-N′-[4-[7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
Vanflyta

MDL Number

MFCD18074524

FAQ

What are the physical and chemical properties of 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1)?

1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1) is a crystalline solid. Its molecular weight is approximately 1000 g/mol. This compound has low aqueous solubility but exhibits good solubility in polar organic solvents. It is moderately reactive, especially towards nucleophiles and reducing agents. It is stable under normal laboratory conditions but should be stored away from moisture and heat.

How is 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1) typically synthesized?

1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1) is synthesized through a multi-step process involving the condensation of 2-methyl-2-propanol with 1,2-oxazole, followed by coupling with an imidazo[2,1-b][1,3]benzothiazole derivative. The synthesis typically requires mild to moderate temperatures and uses appropriate solvents and catalysts. The final product exhibits excellent selectivity and yield.

What industries use 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1)?

1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1) is primarily used in the pharmaceutical industry due to its unique chemical structure and potential medicinal applications. It may also find applications in the development of new materials and sensors.

What precautions should be taken when handling 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1)?

When handling 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbent materials. This compound should be stored in a cool, dry place, away from moisture and heat sources. Always refer to the Material Safety Data Sheet (MSDS) for specific handling and disposal information.

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1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea | CAS No. 950769-58-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1)?

How is 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1) typically synthesized?

What industries use 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1)?

What precautions should be taken when handling 1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea (CAS: 950769-58-1)?

Related Compounds

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