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MedKoo Cat#: 526012 | Name: Pnu 103017

Description:

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

Pnu 103017 is an HIV aspartyl protease inhibitor.

Chemical Structure

Pnu 103017
Pnu 103017
CAS#166335-18-8

Theoretical Analysis

MedKoo Cat#: 526012

Name: Pnu 103017

CAS#: 166335-18-8

Chemical Formula: C28H28N2O5S

Exact Mass: 504.1719

Molecular Weight: 504.60

Elemental Analysis: C, 66.65; H, 5.59; N, 5.55; O, 15.85; S, 6.35

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
Pnu 103017; Pnu-103017; Pnu103017.
IUPAC/Chemical Name
4-Cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl )phenyl)benzenesulfonamide
InChi Key
VCYQENLVFRTJIC-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H28N2O5S/c29-17-18-10-14-22(15-11-18)36(33,34)30-21-7-5-6-20(16-21)25(19-12-13-19)26-27(31)23-8-3-1-2-4-9-24(23)35-28(26)32/h5-7,10-11,14-16,19,25,30-31H,1-4,8-9,12-13H2
SMILES Code
O=S(C1=CC=C(C#N)C=C1)(NC2=CC=CC(C(C3CC3)C4=C(O)C(CCCCCC5)=C5OC4=O)=C2)=O
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 504.60 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: Chrusciel RA, Strohbach JW. Non-peptidic HIV protease inhibitors. Curr Top Med Chem. 2004;4(10):1097-114. Review. PubMed PMID: 15193141. 2: Koeplinger KA, Raub TJ, Padbury GE, Zhao Z. Equilibrium distribution of HIV antiviral drugs into human peripheral blood mononuclear cells (PBMC) is controlled by free drug concentration in the extracellular medium. J Pharm Biomed Anal. 1999 Mar;19(3-4):399-411. PubMed PMID: 10704105. 3: Zhong WZ, Williams MG, Borin MT, Padbury GE. Species-dependent enantioselective pharmacokinetics of PNU-103017, a pyrone HIV protease inhibitor. Chirality. 1998;10(3):210-6. PubMed PMID: 9499572. 4: Williams MG, Zhong WZ. Stereospecific determination of an HIV aspartyl protease inhibitor, PNU-103017, in rat, dog and human plasma using a Pirkle-concept high-performance liquid chromatographic column. J Chromatogr B Biomed Sci Appl. 1997 Jun 20;694(1):169-77. PubMed PMID: 9234860.