Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate

Basic Information

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CAS Number

1062169-56-5

Molecular Formula

C24H29N7O5

Molecular Weight

495.54 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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COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC

InChI

InChI=1S/C24H29N7O5/c1-34-23(32)26-17-5-3-16(4-6-17)20-27-21(29-11-13-36-14-12-29)19-15-25-31(22(19)28-20)18-7-9-30(10-8-18)24(33)35-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,32)

InChIKey

IMXHGCRIEAKIBU-UHFFFAOYSA-N

LogP

2.911500000000001

Topological Polar Surface Area

123.93999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 12

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

WYE-354
WYE 354
4-[6-[4-[(methoxycarbonyl)amino]phenyl]-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-Piperidinecarboxylic acid methyl ester
Methyl 4-(6-(4-(methoxycarbonylamino)phenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
pyrazolo pyrimidine,19
WYE-354 (Degrasyn)
Methyl 4-(6-(4-(methoxycarbonylamino)phenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pip
methyl 4-[6-[4-(methoxycarbonylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

MDL Number

MFCD18074514

FAQ

What are the physical and chemical properties of Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (CAS: 1062169-56-5)?

Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate is a crystalline compound with a molecular weight of approximately 599.7 g/mol. It has a low solubility in water but is soluble in organic solvents like DMSO. Chemically, it is highly reactive and susceptible to hydrolysis under basic conditions. It decomposes above 150°C.

How is Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (CAS: 1062169-56-5) typically synthesized?

Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate is typically synthesized using a multistep process involving aromatic amines, morpholines, and pyrazolo[3,4-d]pyrimidinone derivatives. The reaction involves condensation, amidation, and cyclization steps, often requiring mild base conditions and protective groups.

What industries use Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (CAS: 1062169-56-5)?

Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate is primarily used in the pharmaceutical industry for drug discovery and development. It may also find applications in the polymer industry for special functional polymers and in sensor technology for its unique chemical reactivity.

What precautions should be taken when handling Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (CAS: 1062169-56-5)?

When handling Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate, it is crucial to use appropriate personal protective equipment (PPE) including gloves, goggles, and lab coats. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbents, and the material safety data sheet (MSDS) should be referenced for specific disposal and emergency procedures.

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate | CAS No. 1062169-56-5

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

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (CAS: 1062169-56-5)?

How is Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (CAS: 1062169-56-5) typically synthesized?

What industries use Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (CAS: 1062169-56-5)?

What precautions should be taken when handling Methyl 4-[6-{4-[(methoxycarbonyl)amino]phenyl}-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate (CAS: 1062169-56-5)?

Related Compounds

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