CAS 1133432-50-4: N-[3-[6-[[4-[(2S)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide

Description: N-[3-[6-[[4-[(2S)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide, with CAS number 1133432-50-4, is a complex organic compound characterized by its multi-ring structure and various functional groups. This substance features a piperazine moiety, which is known for its biological activity, particularly in medicinal chemistry. The presence of multiple heterocycles, including pyrazine and thiophene, suggests potential pharmacological properties, possibly influencing its interaction with biological targets. The compound's amide functional group may contribute to its solubility and stability, while the dimethyl and methyl substitutions can affect its lipophilicity and overall reactivity. Such structural characteristics often indicate potential applications in drug development, particularly in targeting specific receptors or enzymes. However, detailed studies would be necessary to elucidate its specific biological activities, mechanisms of action, and potential therapeutic uses.

Formula: C₃₃H₃₆N₆O₃S

InChI: InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m0/s1

InChI key: InChIKey=CDOOFZZILLRUQH-LJAQVGFWSA-N

SMILES: O=C(NC1=CC=CC(C=2N=C(NC3=CC=C(C=C3)C4C(=O)N(C)CCN4C)C(=O)N(C2)C)=C1C)C=5SC6=C(C5)CCCC6

Synonyms:

• N-[3-[6-[[4-[(2S)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
• Benzo[b]thiophene-2-carboxamide, N-[3-[6-[[4-[(2S)-1,4-dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydro-

GDC-0834

CAS: 1133432-50-4

• Formula: C₃₃H₃₆N₆O₃S
• Purity: 98%
• Molecular weight: 596.7423

GDC-0834 S-enantiomer

CAS: 1133432-50-4

GDC-0834, the S-enantiomer, is a potent and selective inhibitor of Bruton's tyrosine kinase (BTK).

• Formula: C₃₃H₃₆N₆O₃S
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 596.74