CAS 371980-98-2

(5S,7S)-7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-ol

Description:

The chemical substance with the name "(5S,7S)-7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-ol" and CAS number "371980-98-2" is a complex organic compound characterized by its multi-cyclic structure, which includes a benzocycloheptene core. This compound features a piperidine moiety substituted with a dichlorophenyl group, contributing to its potential biological activity. The stereochemistry indicated by the (5S,7S) configuration suggests specific spatial arrangements of atoms, which can significantly influence the compound's pharmacological properties. The presence of hydroxyl (-OH) functional groups indicates potential for hydrogen bonding, affecting solubility and reactivity. This compound may exhibit various interactions with biological targets, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its unique structural features and stereochemistry may also play a role in its efficacy and safety profile in biological systems. Further studies would be necessary to elucidate its specific applications and mechanisms of action.

Formula: C₂₄H₂₉Cl₂NO

InChI: InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1

InChI key: InChIKey=OHRDCQFCAWLDBP-SBUREZEXSA-N

SMILES: ClC1=C(C2CCN(C[C@@H]3C[C@H](O)C=4C(CC3)=C(C)C=CC4)CC2)C(Cl)=CC=C1

Synonyms:

• (5S,7S)-7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-ol
• SB 612111
• 5H-Benzocyclohepten-5-ol, 7-[[4-(2,6-dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-, (5S,7S)-
• (5S,7S)-7-((4-(2,6-DICHLOROPHENYL)PIPERIDIN-1-YL)METHYL)-1-METHYL-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-OL HCL
• SB612111,SB 612111
• (5S,7S)-7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]Methyl]-6,7,8,9-tetrahydro-1-Methyl-5H-benzocyclohepten-5-ol Hydrochloride
• SB 612111 hydrochloride
• (-)-cis-1-Methyl-7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]Methyl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol Hydrochloride
• 7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-olhydrochloride

SB 612111 hydrochloride

CAS: 371980-98-2

SB 612111 hydrochloride is a potent and selective antagonist of the nociceptin/orphanin FQ peptide receptor (NOP receptor). It is a synthetic compound derived from rational design and chemical synthesis approaches targeting specific receptor pathways. The mode of action of SB 612111 hydrochloride involves competitive inhibition of the NOP receptor, blocking the binding of its endogenous ligand, nociceptin, thereby modulating neurotransmission within various neural circuits.

Formula: C₂₄H₂₉Cl₂NO·HCl

Purity: Min. 95%

Molecular weight: 454.86 g/mol

Ref: 3D-WPA98098

SB-612111

CAS: 371980-98-2

SB-612111: potent ORL-1 antagonist, Ki=0.33 nM; μ-, κ-, δ-receptor Ki=57.6, 160.5, 2109 nM; blocks nociceptin's pain effect.

Formula: C₂₄H₂₉Cl₂NO

Color and Shape: Solid

Molecular weight: 418.40

Ref: TM-T36376