N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide | CAS No. 2414572-47-5

N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide

Basic Information

CAS Number

2414572-47-5

Molecular Formula

C29H29ClN6O4

Molecular Weight

561.04 g/mol

AD

Basic Physical Properties

C=CC(=O)NC1=CC2C(NC3=CC(Cl)=C(C=C3)OCC3=CC=CC=N3)=NC=NC=2C=C1OCCN1CCOCC1

InChI

InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)

InChIKey

HIBPKFXWOPYJPZ-UHFFFAOYSA-N

LogP

4.836300000000006

Topological Polar Surface Area

110.73 Ų

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

805

Synonyms & References

English

  • BDTX-189
  • tuxobertinib
  • BDTX189
  • N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-morpholin-4-ylethoxy)quinazolin-6-yl]prop-2-enamide
  • Tuxobertinib [INN]
  • GTPL11676
  • 6CE2107J4T
  • example 8 [US11034672B1]
  • NSC828939
  • s9786
  • E80424
  • Tuxobertinib

FAQ

What are the physical and chemical properties of N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide (CAS: 2414572-47-5)?

N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide is a crystalline compound with a molecular weight of approximately 605.16 g/mol. It has low water solubility and is moderately soluble in organic solvents like DMSO. The compound shows moderate reactivity, particularly in the presence of amines and other nucleophiles. It is stable under normal laboratory conditions but should be protected from moisture and air during handling.

How is N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide (CAS: 2414572-47-5) typically synthesized?

N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide is synthesized through a multi-step process involving the coupling of a pyridinylmethoxy moiety with a quinazoline derivative, followed by acrylamidation. The synthesis is catalyzed by a palladium-based catalyst and proceeds under mild conditions. The overall yield is moderate, around 50-60%, and the product is typically isolated by recrystallization from DMSO.

What industries use N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide (CAS: 2414572-47-5)?

N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide is primarily used in the pharmaceutical industry for its potential as an anticancer agent. It may also find applications in the polymer industry as a functional monomer and in sensor technology due to its specific chemical properties.

What precautions should be taken when handling N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide (CAS: 2414572-47-5)?

When handling N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to laboratory safety guidelines. It is recommended to consult the Safety Data Sheet (SDS) for detailed handling instructions.

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