CAS 936563-96-1

1-((3r)-3-(4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-2-propen-1-one

Description:

The chemical substance known as 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-2-propen-1-one, with the CAS number 936563-96-1, is a complex organic compound characterized by its multi-functional structure. It features a pyrazolo-pyrimidine core, which is known for its biological activity, particularly in medicinal chemistry. The presence of an amino group and a phenoxyphenyl moiety suggests potential interactions with biological targets, making it a candidate for pharmaceutical applications. The piperidine ring contributes to its basicity and may influence its pharmacokinetic properties. Additionally, the α,β-unsaturated carbonyl group (2-propen-1-one) is significant for reactivity, potentially allowing for further chemical modifications. Overall, this compound's intricate structure indicates a potential for diverse biological activities, warranting further investigation in drug development and therapeutic applications.

Formula: C₂₅H₂₄N₆O₂

InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1

InChI key: InChIKey=XYFPWWZEPKGCCK-GOSISDBHSA-N

SMILES: NC1=C2C(N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@H]5CN(C(C=C)=O)CCC5)=NC=N1

Synonyms:

• (R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
• 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
• 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
• 1-{3-[4-Amino-3-(4-phenoxy-phenyl)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-propenone
• 2-Propen-1-one, 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-
• Cra 032765
• Ibrutinib
• Imbruvica
• Jnj 02
• Pci 32765-00
• Pci-32765
• 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one
• 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one
• 1-[(3R)-3-[4-AMino-3-(4-phenoxyphenyl)pyrazolo[3, 4-d]pyriMidin-1-yl]piperidin-1-yl]prop-2-en-1-one
• PCI-32765 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one
• PCI-32765 (Ibrutinib)
• Ibrutinib (PCI-32765)
• 1-{3-[4-Amino-3-(4-phenoxy-phenyl)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-but-3-en-1-one

1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

CAS: 936563-96-1

Formula: C₂₅H₂₄N₆O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 440.4971

Ref: IN-DA003620

Ibrutinib

CAS: 936563-96-1

Ibrutinib

Purity: 98%

Molecular weight: 440.5g/mol

Ref: 54-OR1029554

Ibrutinib (PCI-32765)

CAS: 936563-96-1

Formula: C₂₅H₂₄N₆O₂

Color and Shape: White To Off-White Solid

Molecular weight: 440.51

Ref: 4Z-I-061003

Ibrutinib

CAS: 936563-96-1

Ibrutinib

Purity: ≥98%

Molecular weight: 440.5g/mol

Ref: 54-BUP15079

Ibrutinib

CAS: 936563-96-1

Formula: C₂₅H₂₄N₆O₂

Purity: ≥ 98.0%

Color and Shape: White or almost white powder

Molecular weight: 440.50

Ref: 7W-GP8742

Ibrutinib

Controlled Product

CAS: 936563-96-1

Formula: C₂₅H₂₄N₆O₂

Color and Shape: Neat

Molecular weight: 440.50

Ref: 86-MM3746.00

Ibrutinib

CAS: 936563-96-1

Ibrutinib (PCI-32765) is an irreversible inhibitor of BTK (IC50: 0.5 nM) that selectively blocks B cell activation.

Formula: C₂₅H₂₄N₆O₂

Purity: 98% - 99.93%

Color and Shape: Solid

Molecular weight: 440.5

Ref: TM-T1835

Ibrutinib

Controlled Product

CAS: 936563-96-1

Applications Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
References MacGlashan, D., et. al.: Int. Immunol., 11, 475 (2011)

Formula: C₂₅H₂₄N₆O₂

Color and Shape: Off-White

Molecular weight: 440.50

Ref: TR-I124970

Ibrutinib-d4 (Major)

Controlled Product

CAS: 936563-96-1

Applications Ibrutinib-d4 is the labelled analogue of Ibrutinib (I124970). Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
References MacGlashan, D., et. al.: Int. Immunol., 11, 475 (2011)

Formula: C₂₅H₂₀D₄N₆O₂

Color and Shape: Neat

Molecular weight: 444.52

Ref: TR-I124971

Ibrutinib

CAS: 936563-96-1

Ibrutinib is a small-molecule inhibitor of Bruton’s tyrosine kinase, a crucial enzyme to the B-cell receptor pathway. Bruton’s tyrosine kinase becomes continuously activated in B-cell cancers and therefore promotes the survival of tumor cells. Ibrutinib binds irreversibly and covalently to a cysteine residue within the ATP-binding site of the enzyme, thus preventing ATP binding and downstream signal transduction. The ability of Ibrutinib to inhibit Bruton’s tyrosin kinase and hence the B-cell receptor pathway it can be used in the treatment of some B cell cancers such as diffuse large B-cell lymphoma (DLBCL) and chronic lymphocytic leukemia (CLL).

Formula: C₂₅H₂₄O₂N₆

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 440.5 g/mol

Ref: 3D-FA34130

Ibrutinib - Bio-X ™

CAS: 936563-96-1

Ibrutinib is a small-molecule inhibitor of Bruton’s tyrosine kinase, a crucial enzyme to the B-cell receptor pathway. Bruton’s tyrosine kinase becomes continuously activated in B-cell cancers and therefore promotes the survival of tumor cells. Ibrutinib binds irreversibly and covalently to a cysteine residue within the ATP-binding site of the enzyme, thus preventing ATP binding and downstream signal transduction. The ability of Ibrutinib to inhibit Bruton’s tyrosin kinase and hence the B-cell receptor pathway it can be used in the treatment of some B cell cancers such as diffuse large B-cell lymphoma (DLBCL) and chronic lymphocytic leukemia (CLL).

Formula: C₂₅H₂₄O₂N₆

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 440.5 g/mol

Ref: 3D-BI164531

Ibrutinib

CAS: 936563-96-1

Purity: 99%

Molecular weight: 440.51

Ref: 10-F799864