PD 125754

• CAT Number: I008590
• CAS Number: 124339-32-8
• Molecular Formula: C42H65N5O7
• Molecular Weight: 752.01
• Purity: ≥95%
• Synonyms: PD125754; PD-125754; PD 125754;tert-butyl ((2S,3S)-6-(((2S,3S)-5-(((S)-1-((3-(aminomethyl)benzyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl)amino)-3-hydroxy-6-oxo-1-phenylhexan-2-yl)carbamate
• Target: Renin
• Solubility: Soluble in DMSO
• Storage: 0 - 4 °C for short term, or -20 °C for long term
• IUPAC Name: tert-butyl N-[(2S,3S)-6-[[(2S,3S)-5-[[(2S)-1-[[3-(aminomethyl)phenyl]methylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
• InChI: InChI=1S/C42H65N5O7/c1-28(2)21-35(40(52)44-27-32-18-12-17-31(22-32)26-43)46-39(51)25-37(49)34(24-30-15-10-7-11-16-30)45-38(50)20-19-36(48)33(23-29-13-8-6-9-14-29)47-41(53)54-42(3,4)5/h6,8-9,12-14,17-18,22,28,30,33-37,48-49H,7,10-11,15-16,19-21,23-27,43H2,1-5H3,(H,44,52)(H,45,50)(H,46,51)(H,47,53)/t33-,34-,35-,36-,37-/m0/s1
• InChIKey: VRJLGQJDRSVEKS-LTLCPEALSA-N
• SMILES: CC(C)CC(C(=O)NCC1=CC=CC(=C1)CN)NC(=O)CC(C(CC2CCCCC2)NC(=O)CCC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)O

PD 125754 (Cat No.: I008590) is a selective antagonist of the 5-hydroxytryptamine 1B (5-HT1B) receptor, a subtype of serotonin receptor involved in the modulation of neurotransmitter release. It has been used primarily in research to study the role of 5-HT1B receptors in neuropsychiatric and behavioral processes, including anxiety, aggression, and depression. PD 125754 helps clarify serotonin’s role in central nervous system function and holds potential for developing targeted therapies for mood disorders, though it is not used clinically.

Reference

1:Cooper J, Quail W, Frazao C, Foundling SI, Blundell TL, Humblet C, Lunney EA, Lowther WT, Dunn BM. X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors. Biochemistry. 1992 Sep 8;31(35):8142-50. PubMed PMID: 1525155.