MedKoo Cat#: 522640 | Name: IWP-051

Description:

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

IWP-051 is a potent, orally active sGC stimulator (EC50 = 290nM). IWP-051 showed >99% plasma protein binding, high metabolic stability, high permeability, and no efflux in a Caco-2 model of intestinal absorption. IWP-051 achieves good alignment of potency, stability, selectivity, and pharmacodynamic effects while maintaining favorable pharmacokinetic properties with once-daily dosing potential in humans.

Chemical Structure

IWP-051
IWP-051
CAS#1354041-91-0

Theoretical Analysis

MedKoo Cat#: 522640

Name: IWP-051

CAS#: 1354041-91-0

Chemical Formula: C17H11F2N5O2

Exact Mass: 355.0881

Molecular Weight: 355.30

Elemental Analysis: C, 57.47; H, 3.12; F, 10.69; N, 19.71; O, 9.01

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
IWP-051; IWP051; IWP 051.
IUPAC/Chemical Name
5-fluoro-2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidin-4(3H)-one
InChi Key
LIVYVCAUBHXIMI-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H11F2N5O2/c18-11-4-2-1-3-10(11)9-24-15(13-5-6-26-23-13)7-14(22-24)16-20-8-12(19)17(25)21-16/h1-8H,9H2,(H,20,21,25)
SMILES Code
O=C1NC(C2=NN(CC3=CC=CC=C3F)C(C4=NOC=C4)=C2)=NC=C1F
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, not in water
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 355.30 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. Discovery of IWP-051, a Novel Orally Bioavailable sGC Stimulator with Once-Daily Dosing Potential in Humans Takashi Nakai, Nicholas R. Perl, Timothy C. Barden, Andrew Carvalho, Angelika Fretzen, Peter Germano, G-Yoon J. Im, Hong Jin, Charles Kim, Thomas W.-H. Lee, Kimberly Long, Joel Moore, Jason M. Rohde, Renee Sarno, Chrissie Segal, Erik O. Solberg, Jenny Tobin, Daniel P. Zimmer, and Mark G. Currie Publication Date (Web): February 24, 2016 (Letter) DOI: 10.1021/acsmedchemlett.5b00479 2. BMC Pharmacol Toxicol. 2015; 16(Suppl 1): PMCID: PMC4565103 Discovery of IWP-051, a novel orally bioavailable soluble guanylate cyclase stimulator with sustained and dose-dependent hemodynamic effects Takashi Nakai,1 Nicholas R Perl,1 Rajesh R Iyengar,corresponding author1 Ara Mermerian,1 G-Yoon J Im,1 Thomas W-H Lee,1 Glen R Rennie,1 James Jia,1 Paul A Renhowe,1 Timothy C Barden,1 James E Sheppeck, II,1 Karthik Iyer,1 Joon Jung,1 G Todd Milne,1 Chrissie Segal,1 Kimberly Long,1 Joy Miyashiro,1 Sylvie Bernier,1 Sarah Jacobson,1 Jenny Tobin,1 Courtney Shea,1 Peter Germano,1 Yueh-tyng Chien,1 and Daniel Zimmer1