5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine

CAS: 25961-11-9

Ref. 3D-FA147073

Product Information

• Name: 5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine
• Synonyms: 1-(3-Chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethanone, 1-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone, 1-(3-Chloro-10,11-dihydrodibenzo[b,f]azepin-5-yl)ethanone, 247-371-7, 5-Acetyl-3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine, 5-Acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine, 5-Acetyl-3-chloroiminodibenzyl, 5-acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine, 5H-Dibenz[b,f]azepine, 5-acetyl-3-chloro-10,11-dihydro-, ethanone, 1-(3-chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-

Description

5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine (PCDA) is a conformationally restricted analog of dibenz[b,f]azepine. PCDA has been shown to have an azepine crystal structure with a dihedral angle of 11.6 degrees. This compound is believed to be more potent than the parent molecule in inhibiting the production of inflammatory cytokines such as IL1β and TNFα.

• Brand: Biosynth

Chemical properties

• Molecular weight: 271.74 g/mol
• Formula: C₁₆H₁₄ClNO
• Purity: Min. 95%
• InChI: InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3
• InChI key: InChIKey=NMZOSOMVILZBJL-UHFFFAOYSA-N
• SMILES: CC(=O)N1c2ccccc2CCc2ccc(Cl)cc21