CAS 936563-97-2

1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one

Description:

1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one, with CAS number 936563-97-2, is a chemical compound characterized by its complex structure, which includes a piperidine ring, a pyrazolopyrimidine moiety, and a phenoxyphenyl group. This compound exhibits properties typical of small organic molecules, including potential biological activity due to its ability to interact with various biological targets. The presence of an amino group suggests it may participate in hydrogen bonding, enhancing its solubility and reactivity. Its propenone functional group indicates potential for electrophilic reactions, making it a candidate for further chemical modifications. The stereochemistry at the 3-position of the piperidine ring is significant, as it may influence the compound's pharmacological profile. Overall, this compound's unique structural features may contribute to its potential applications in medicinal chemistry, particularly in the development of therapeutic agents targeting specific pathways or diseases.

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-/m0/s1

InChI key: InChIKey=XYFPWWZEPKGCCK-SFHVURJKSA-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:

• 2-Propen-1-one, 1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-
• 1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one
• 1-[(3S)-3-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

(S)-Ibrutinib

CAS: 936563-97-2

Formula: C₂₅H₂₄N₆O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 440.4971

Ref: IN-DA00GX23

(S)-Ibrutinib

CAS: 936563-97-2

Formula: C₂₅H₂₄N₆O₂

Color and Shape: White To Off-White Solid

Molecular weight: 440.51

Ref: 4Z-I-061002

(S)-Ibrutinib-d5

CAS: 936563-97-2

Formula: C₂₅H₁₉D₅N₆O₂

Color and Shape: White To Off-White Solid

Molecular weight: 445.54

Ref: 4Z-I-061018

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

CAS: 936563-97-2

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

Purity: 98%

Molecular weight: 440.5g/mol

Ref: 54-OR1031633

(S)-Ibrutinib

Controlled Product

CAS: 936563-97-2

Stability Light Sensitive
Applications (S)-Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
References Pan, Z., et. al.: ChemMedChem, 2, 58 (2007)

Formula: C₂₅H₂₄N₆O₂

Color and Shape: Neat

Molecular weight: 440.5

Ref: TR-I124975

(S)-Ibrutinib-d5

Controlled Product

CAS: 936563-97-2

Formula: C₂₅D₅H₁₉N₆O₂

Color and Shape: Neat

Molecular weight: 445.528

Ref: TR-I124977

(S)-Ibrutinib

CAS: 936563-97-2

Formula: C₂₅H₂₄N₆O₂

Molecular weight: 440.51

Ref: ST-EA-CP-I20002

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

CAS: 936563-97-2

Please enquire for more information about (S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one including the price, delivery time and more detailed product information at the technical inquiry form on this page

Formula: C₂₅H₂₄N₆O₂

Purity: Min. 95%

Molecular weight: 440.5 g/mol

Ref: 3D-BA184227