GSK4112 | CAS#1216744-19-2 | Rev-Erbα agonist

MedKoo Cat#: 531875 | Name: GSK4112

Description:

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

GSK4112 is a selective Rev-Erbα agonist (EC50 = 250 nM). GSK4112 enhances recruitment of nuclear receptor co-repressor (NCoR) peptide to Rev-Erbα and causes acute suppression of Bmal1 gene transcription.

Chemical Structure

GSK4112

CAS#1216744-19-2

Theoretical Analysis

MedKoo Cat#: 531875

Name: GSK4112

CAS#: 1216744-19-2

Chemical Formula: C18H21ClN2O4S

Exact Mass: 396.0911

Molecular Weight: 396.89

Elemental Analysis: C, 54.47; H, 5.33; Cl, 8.93; N, 7.06; O, 16.12; S, 8.08

Price and Availability

Size	Price	Availability
100mg	USD 550.00	2 Weeks
200mg	USD 950.00	2 Weeks
500mg	USD 1,650.00	2 Weeks
1g	USD 2,650.00	2 Weeks
2g	USD 4,650.00	2 Weeks

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Related CAS #

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Synonym

GSK4112; GSK 4112; GSK-4112; SR6452; SR 6452; SR-6452

IUPAC/Chemical Name

tert-butyl 2-[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate

InChi Key

WYSLOKHVFKLWOU-UHFFFAOYSA-N

InChi Code

InChI=1S/C18H21ClN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3

SMILES Code

O=C(OC(C)(C)C)CN(CC1=CC=C(Cl)C=C1)CC2=CC=C([N+]([O-])=O)S2

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

GSK4112 (SR6452) is a Rev-erbα agonist with an EC50 value of 0.4 μM.

In vitro activity:

Human fetal lung fibroblast 1 (HFL-1) cells were treated with TGF-β with or without GSK4112 (REV-ERBα agonist) for 3 days (Figure 11A). The TGF-β–induced increase in gene expression of ACTA2 (αSMA) was significantly inhibited by GSK4112 treatment in HFL-1 cells, whereas mRNA levels of COL1A1 and FN1 (fibronectin) were reduced by GSK4112 but not significantly. Reference: JCI Insight. 2021 Jun 22;6(12):e145200. https://pubmed.ncbi.nlm.nih.gov/34014841/

In vivo activity:

Consistent with the histological abnormalities, the plasma ALT and AST increased significantly following Jo2 exposure, whereas treatment with GSK4112 suppressed the increase of ALT and AST in Jo2-exposed mice (Fig. 2). In addition, treatment with GSK4112 markedly improved the survival rate of Jo2-exposed mice (Fig. 3). Reference: Int J Med Sci. 2021 Oct 25;18(16):3831-3838. https://pubmed.ncbi.nlm.nih.gov/34790059/

	Solvent	mg/mL	mM
Solubility
	DMF	3.0	7.56
	DMSO	28.2	71.13
	Ethanol	2.0	5.04

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 396.89 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. Wang Q, Sundar IK, Lucas JH, Muthumalage T, Rahman I. Molecular clock REV-ERBα regulates cigarette smoke-induced pulmonary inflammation and epithelial-mesenchymal transition. JCI Insight. 2021 Jun 22;6(12):e145200. doi: 10.1172/jci.insight.145200. PMID: 34014841; PMCID: PMC8262497. 2. Tao L, Yu H, Liang R, Jia R, Wang J, Jiang K, Wang Z. Rev-erbα inhibits proliferation by reducing glycolytic flux and pentose phosphate pathway in human gastric cancer cells. Oncogenesis. 2019 Oct 7;8(10):57. doi: 10.1038/s41389-019-0168-5. PMID: 31591390; PMCID: PMC6779746. 3. Shao R, Yang Y, Fan K, Wu X, Jiang R, Tang L, Li L, Shen Y, Liu G, Zhang L. REV-ERBα Agonist GSK4112 attenuates Fas-induced Acute Hepatic Damage in Mice. Int J Med Sci. 2021 Oct 25;18(16):3831-3838. doi: 10.7150/ijms.52011. PMID: 34790059; PMCID: PMC8579287. 4. Kim K, Kim JH, Kim I, Seong S, Kim N. Rev-erbα Negatively Regulates Osteoclast and Osteoblast Differentiation through p38 MAPK Signaling Pathway. Mol Cells. 2020 Jan 31;43(1):34-47. doi: 10.14348/molcells.2019.0232. PMID: 31896234; PMCID: PMC6999712.

In vitro protocol:

In vivo protocol:

1. Shao R, Yang Y, Fan K, Wu X, Jiang R, Tang L, Li L, Shen Y, Liu G, Zhang L. REV-ERBα Agonist GSK4112 attenuates Fas-induced Acute Hepatic Damage in Mice. Int J Med Sci. 2021 Oct 25;18(16):3831-3838. doi: 10.7150/ijms.52011. PMID: 34790059; PMCID: PMC8579287. 2. Kim K, Kim JH, Kim I, Seong S, Kim N. Rev-erbα Negatively Regulates Osteoclast and Osteoblast Differentiation through p38 MAPK Signaling Pathway. Mol Cells. 2020 Jan 31;43(1):34-47. doi: 10.14348/molcells.2019.0232. PMID: 31896234; PMCID: PMC6999712.

1: Chen H, Chu G, Zhao L, Yamauchi N, Shigeyoshi Y, Hashimoto S, Hattori MA. Rev-erbα regulates circadian rhythms and StAR expression in rat granulosa cells as identified by the agonist GSK4112. Biochem Biophys Res Commun. 2012 Apr 6;420(2):374-9. doi: 10.1016/j.bbrc.2012.02.164. PubMed PMID: 22425774. 2: Grant D, Yin L, Collins JL, Parks DJ, Orband-Miller LA, Wisely GB, Joshi S, Lazar MA, Willson TM, Zuercher WJ. GSK4112, a small molecule chemical probe for the cell biology of the nuclear heme receptor Rev-erbα. ACS Chem Biol. 2010 Oct 15;5(10):925-32. doi: 10.1021/cb100141y. PubMed PMID: 20677822.