MedKoo Cat#: 525834 | Name: PD 125754

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PD 125754 is a Renin inhibitor, a group of pharmaceutical drugs used primarily in treatment of essential hypertension.

Chemical Structure

PD 125754
PD 125754
CAS#124339-32-8

Theoretical Analysis

MedKoo Cat#: 525834

Name: PD 125754

CAS#: 124339-32-8

Chemical Formula: C42H65N5O7

Exact Mass: 751.4884

Molecular Weight: 751.99

Elemental Analysis: C, 67.08; H, 8.71; N, 9.31; O, 14.89

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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.