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 is a Renin inhibitor, a group of pharmaceutical drugs used primarily in treatment of essential hypertension.

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.