CAS 42021-34-1

1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl)-1-butanone

Description:

1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl)-1-butanone, with CAS number 42021-34-1, is a complex organic compound characterized by its unique structural features, including a fluorophenyl group and a hexahydropyrazino-pyridoindole moiety. This compound exhibits a range of chemical properties typical of substituted indoles and ketones, such as potential biological activity due to its structural similarity to various pharmacologically active compounds. The presence of the fluorine atom may enhance lipophilicity and influence the compound's interaction with biological targets. Additionally, the hexahydropyrazino structure contributes to its rigidity and may affect its conformational dynamics. The compound's synthesis typically involves multi-step organic reactions, and it may be of interest in medicinal chemistry for its potential therapeutic applications. As with many complex organic molecules, its solubility, stability, and reactivity can vary significantly depending on the solvent and environmental conditions. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₂₄H₂₆FN₃O

InChI: InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2

InChI key: InChIKey=YCNCIZWAGQTWBI-UHFFFAOYSA-N

SMILES: C(CCC(=O)C1=CC=C(F)C=C1)N2CC3CC=4C=5C(NC4CN3CC2)=CC=CC5

Synonyms:

• (1)-1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)butan-1-one
• 1-(4-Fluorophenyl)-4-(3,4,12,12a-tetrahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)butan-1-one
• 1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl)-1-butanone
• 1-Butanone, 1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl)-
• 2-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,4,6,7,12,12a-octahydropyrazino[2′,1′:6,1]pyrido[3,4-b]indole
• Biriperone
• Centbutindole
• NSC 143691
• Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-(p-fluorobenzoyl)propyl)-, dl-
• Pyrazino[1′,2′:1,6]pyrido[3,4-b]indole, 1-butanone deriv.

Biriperone

Controlled Product

CAS: 42021-34-1

Formula: C₂₄H₂₆FN₃O

Color and Shape: Neat

Molecular weight: 391.48

Ref: TR-B399750

Biriperone-d4

Controlled Product

CAS: 42021-34-1

Formula: C₂₄D₄H₂₂FN₃O

Color and Shape: Neat

Molecular weight: 395.506

Ref: TR-B399752

Biriperone-d4

CAS: 42021-34-1

Biriperone-d4 is a pharmaceutical drug that belongs to the class of dopamine receptor antagonists. It is an analog of the neurotransmitter dopamine and acts as a competitive antagonist at both 5-HT1 and 5-HT2 receptors. Biriperone-d4 has been shown to reduce symptoms in patients with inflammatory bowel disease, including diarrhea, abdominal pain, weight loss, and rectal bleeding. This drug also exhibits anti-inflammatory effects by inhibiting the production of proinflammatory cytokines such as IL-6 and TNFα. Biriperone-d4 is rapidly absorbed when given orally and undergoes extensive first pass metabolism before being eliminated through the kidneys. The elimination half life is approximately 2 hours.

Formula: C₂₄H₂₆FN₃O

Purity: Min. 95%

Molecular weight: 391.5 g/mol

Ref: 3D-SBA02134