WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H525834
CAS#: 124339-32-8
Description: PD 125754 is a Renin inhibitor, a group of pharmaceutical drugs used primarily in treatment of essential hypertension.
Hodoodo Cat#: H525834
Name: PD 125754
CAS#: 124339-32-8
Chemical Formula: C42H65N5O7
Exact Mass: 751.49
Molecular Weight: 751.995
Elemental Analysis: C, 67.08; H, 8.71; N, 9.31; O, 14.89
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Synonym: PD125754; PD-125754; PD 125754
IUPAC/Chemical Name: 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
InChi Key: VRJLGQJDRSVEKS-LTLCPEALSA-N
InChi Code: 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
SMILES Code: CC(C[C@H](NC(C[C@H](O)[C@@H](NC(CC[C@H](O)[C@@H](NC(OC(C)(C)C)=O)Cc1ccccc1)=O)CC2CCCCC2)=O)C(NCc3cc(CN)ccc3)=O)C
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 751.99 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.