MedKoo Cat#: 330341 | Name: GSK3395879

Description:

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

GSK3395879 is a potent, selective and orally active TRPV4 inhibitor (IC50 = 1 nM), GSK3395879 demonstrated the ability to inhibit TRPV4-mediated pulmonary edema in an in vivo rat model. GSK3395879 is a tool for studying the biology of TRPV4 and an advanced lead for identifying new heart failure medicines.

Chemical Structure

GSK3395879
GSK3395879
CAS#2215852-91-6

Theoretical Analysis

MedKoo Cat#: 330341

Name: GSK3395879

CAS#: 2215852-91-6

Chemical Formula: C20H15F4N3O5S

Exact Mass: 485.0669

Molecular Weight: 485.41

Elemental Analysis: C, 49.49; H, 3.11; F, 15.66; N, 8.66; O, 16.48; S, 6.60

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 #
Synonym
GSK3395879; GSK-3395879; GSK 3395879;
IUPAC/Chemical Name
4-(((3S,4R)-1-((2-Cyano-4-(trifluoromethyl)phenyl)sulfonyl)-4-hydroxy-4-(hydroxymethyl)pyrrolidin-3-yl)oxy)-2-fluorobenzonitrile
InChi Key
RAYCYIKGBWRQBC-RBUKOAKNSA-N
InChi Code
InChI=1S/C20H15F4N3O5S/c21-16-6-15(3-1-12(16)7-25)32-18-9-27(10-19(18,29)11-28)33(30,31)17-4-2-14(20(22,23)24)5-13(17)8-26/h1-6,18,28-29H,9-11H2/t18-,19+/m0/s1
SMILES Code
N#CC1=CC=C(O[C@H]2CN(S(=O)(C3=CC=C(C(F)(F)F)C=C3C#N)=O)C[C@@]2(O)CO)C=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
Shelf Life
>3 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 485.41 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: Brnardic EJ, Ye G, Brooks C, Donatelli C, Barton L, McAtee J, Sanchez RM, Shu A, Erhard K, Terrell L, Graczyk-Millbrandt G, He Y, Costell MH, Behm DJ, Roethke T, Stoy P, Holt DA, Lawhorn BG. Discovery of Pyrrolidine Sulfonamides as Selective and Orally Bioavailable Antagonists of Transient Receptor Potential Vanilloid-4 (TRPV4). J Med Chem. 2018 Oct 18. doi: 10.1021/acs.jmedchem.8b01317. [Epub ahead of print] PubMed PMID: 30335378.