GSK3995879 | CAS#2215852-91-6 | TRPV4 inhibitor

MedKoo Cat#: 555656 | Name: GSK3995879

Description:

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

GSK3995879 is a potent TRPV4 inhibitor with IC50 = 1 nM. GSK3995879 is a potential agent for the treatment of heart failure and respiratory diseases.

Chemical Structure

GSK3995879

CAS#2215852-91-6 (free base)

Theoretical Analysis

MedKoo Cat#: 555656

Name: GSK3995879

CAS#: 2215852-91-6 (free base)

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 #

2215852-91-6 (free base)

Synonym

GSK3995879; GSK-3995879; GSK 3995879;

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

OC[C@]([C@@H](OC1=CC(F)=C(C#N)C=C1)C2)(O)CN2S(C3=C(C#N)C=C(C(F)(F)F)C=C3)(=O)=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

>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

Instruction

View handling instruction

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.

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

Discovery of GSK3527497: A Candidate for the Inhibition of Transient Receptor Potential Vanilloid-4 (TRPV4) Carl A. Brooks*Linda S. BartonDavid J. BehmEdward J. BrnardicMelissa H. CostellDennis A. HoltLarry J. JolivetteJay M. MatthewsJohn J. McAteeBrent W. McClelandJaclyn R. PattersonJoseph E. PeroRalph A. RiveroTheresa J. RoethkeRobert M. SanchezRaynold ShenjeLamont R. TerrellBrian G. Lawhorn Journal of Medicinal Chemistry, Articles ASAP (As Soon As Publishable)Subscribed Access Publication Date (Web):September 18, 2019