GSK2894631A | CAS#2101626-26-8 | HPGDS inhibitor

MedKoo Cat#: 555645 | Name: GSK2894631A

Description:

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

GSK2894631A is a hematopoietic PGD synthase (HPGDS) inhibitor.

Chemical Structure

GSK2894631A

CAS#2101626-26-8

Theoretical Analysis

MedKoo Cat#: 555645

Name: GSK2894631A

CAS#: 2101626-26-8

Chemical Formula: C20H24F2N2O3

Exact Mass: 378.1755

Molecular Weight: 378.42

Elemental Analysis: C, 63.48; H, 6.39; F, 10.04; N, 7.40; O, 12.68

Price and Availability

Size	Price	Availability
50mg	USD 450.00	2 Weeks
100mg	USD 750.00	2 Weeks
200mg	USD 1,250.00	2 Weeks
500mg	USD 2,850.00	2 Weeks
1g	USD 4,250.00	2 Weeks

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Related CAS #

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Synonym

GSK2894631A; GSK-2894631A; GSK 2894631A; GSK2894631; GSK-2894631; GSK 2894631;

IUPAC/Chemical Name

7-(Difluoromethoxy)-N-[trans-4-(1-hydroxy-1-methylethyl)cyclohexyl]-3-quinolinecarboxamide

InChi Key

YRWMWDLEUYLURJ-SHTZXODSSA-N

InChi Code

InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15-

SMILES Code

O=C(C1=CC2=CC=C(OC(F)F)C=C2N=C1)N[C@H]3CC[C@H](C(C)(O)C)CC3

Appearance

Solid powder

Purity

>97% (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

Injured tendons heal through the formation of a fibrovascular scar that has inferior mechanical properties compared to native tendon tissue. Reducing inflammation that occurs as a result of the injury could limit scar formation and improve functional recovery of tendons. Prostaglandin D2 (PGD2 ) plays an important role in promoting inflammation in some injury responses and chronic disease processes, and the inhibition of PGD2 has improved healing and reduced disease burden in animal models and early clinical trials. Based on these findings, we sought to determine the role of PGD2 signaling in the healing of injured tendon tissue.

Product Data

Product Data

Instruction

View handling instruction

Biological target:

HPGDS inhibitor 2 is a highly potent and selective hematopoietic prostaglandin D synthase (H-PGDS) inhibitor with an IC50 of 9.9 nM.

In vitro activity:

A systematic substitution of the amine moiety of 1d, utilizing structural information and array chemistry, with modifications to improve inhibitor stability, resulted in the identification of the 300-fold more active H-PGDS inhibitor tool compound 1bv (IC50 = 9.9 nM, LE = 0.42). This selective inhibitor exhibited good murine pharmacokinetics, dose-dependently attenuated PGD2 production in a mast cell degranulation assay and should be suitable to further explore H-PGDS biology. Reference: Bioorg Med Chem. 2019 Apr 15;27(8):1456-1478. https://pubmed.ncbi.nlm.nih.gov/30858025/

In vivo activity:

	Solvent	mg/mL	mM	comments
Solubility
	DMSO	150.0	396.39

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 378.42 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

Formulation protocol:

1. Deaton DN, Do Y, Holt J, Jeune MR, Kramer HF, Larkin AL, Orband-Miller LA, Peckham GE, Poole C, Price DJ, Schaller LT, Shen Y, Shewchuk LM, Stewart EL, Stuart JD, Thomson SA, Ward P, Wilson JW, Xu T, Guss JH, Musetti C, Rendina AR, Affleck K, Anders D, Hancock AP, Hobbs H, Hodgson ST, Hutchinson J, Leveridge MV, Nicholls H, Smith IED, Somers DO, Sneddon HF, Uddin S, Cleasby A, Mortenson PN, Richardson C, Saxty G. The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors. Bioorg Med Chem. 2019 Apr 15;27(8):1456-1478. doi: 10.1016/j.bmc.2019.02.017. Epub 2019 Feb 11. PMID: 30858025.

In vitro protocol:

In vivo protocol:

Sarver DC, Sugg KB, Talarek JR, et al. Prostaglandin D2 signaling is not involved in the recovery of rat hind limb tendons from injury. Physiol Rep. 2019;7(22):e14289. doi:10.14814/phy2.14289