GSK805 | CAS#1426802-50-7

GSK805
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 555509

CAS#: 1426802-50-7

Description: GSK805, also known as ROR gamma-t-IN-1, is a potent, orally bioavailable retinoid-related orphan receptor gamma t (RORγt) inverse agonist that interacts with the receptor's putative ligand binding domain without exerting significant effects on DNA binding.

Chemical Structure

GSK805

CAS# 1426802-50-7

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 555509
Name: GSK805
CAS#: 1426802-50-7
Chemical Formula: C23H18Cl2F3NO4S
Exact Mass: 531.03
Molecular Weight: 532.355
Elemental Analysis: C, 51.89; H, 3.41; Cl, 13.32; F, 10.71; N, 2.63; O, 12.02; S, 6.02

Price and Availability

Size	Price	Availability	Quantity
100mg	USD 1750
200mg	USD 2650
500mg	USD 3050
1g	USD 3850
2g	USD 6250
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: GSK-805; GSK 805; GSK805; ROR gamma-t-IN-1; RORγt Inverse Agonist II;

IUPAC/Chemical Name: N-[2,6-dichloro-2'-(trifluoromethoxy)[1,1'-biphenyl]-4-yl]-4-(ethylsulfonyl)-benzeneacetamide

InChi Key: CEICQMBWAQAIQX-UHFFFAOYSA-N

InChi Code: InChI=1S/C23H18Cl2F3NO4S/c1-2-34(31,32)16-9-7-14(8-10-16)11-21(30)29-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)33-23(26,27)28/h3-10,12-13H,2,11H2,1H3,(H,29,30)

SMILES Code: O=C(NC1=CC(Cl)=C(C2=CC=CC=C2OC(F)(F)F)C(Cl)=C1)CC3=CC=C(S(=O)(CC)=O)C=C3

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

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Product Data:

Product Data

Instruction:

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Biological target:	GSK805 is an orally active and CNS penetrant RORγt inhibitor. GSK805 inhibits RORγ and Th17 cells differentiation with pIC50 values of 8.4 and >8.2. GSK805 inhibits the function of Th17 cells.
In vitro activity:	At a dose of 0.5 μM, compound GSK805 showed comparable inhibition of IL-17 production as TMP778 at 2.5 μM, during Th17 cell differentiation (Figure 6B), suggesting that GSK805 is an even more potent inhibitor of Th17 cell responses than TMP778. Reference: Immunity. 2014 Apr 17;40(4):477-89. https://pubmed.ncbi.nlm.nih.gov/24745332/
In vivo activity:	This study induced NEC in neonatal mice and treated them with GSK805 orally once a day (Fig. 5a). Compared with Mock (control), GSK805 treatment delayed weight loss and substantially reduced the intestinal tissue impairment demonstrated by hematoxylin and eosin staining and histopathological scores (Fig. 5b–d). Reference: Cell Biosci. 2022 Jan 4;12(1):3. https://pubmed.ncbi.nlm.nih.gov/34983626/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	3.0	5.64
	DMSO	68.3	128.36
	DMSO:PBS (pH 7.2) (1:2)	0.3	0.56
	Ethanol	50.0	93.92

Preparing Stock Solutions

The following data is based on the product molecular weight 532.36 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. Xiao S, Yosef N, Yang J, Wang Y, Zhou L, Zhu C, Wu C, Baloglu E, Schmidt D, Ramesh R, Lobera M, Sundrud MS, Tsai PY, Xiang Z, Wang J, Xu Y, Lin X, Kretschmer K, Rahl PB, Young RA, Zhong Z, Hafler DA, Regev A, Ghosh S, Marson A, Kuchroo VK. Small-molecule RORγt antagonists inhibit T helper 17 cell transcriptional network by divergent mechanisms. Immunity. 2014 Apr 17;40(4):477-89. doi: 10.1016/j.immuni.2014.04.004. PMID: 24745332; PMCID: PMC4066874. 2. Zhao X, Liang W, Wang Y, Yi R, Luo L, Wang W, Sun N, Yu M, Xu W, Sheng Q, Lu L, Pang J, Lv Z, Wang F. Ontogeny of RORγt+ cells in the intestine of newborns and its role in the development of experimental necrotizing enterocolitis. Cell Biosci. 2022 Jan 4;12(1):3. doi: 10.1186/s13578-021-00739-6. PMID: 34983626; PMCID: PMC8725364. 3. Coulibaly AP, Gartman WT, Swank V, Gomes JA, Ruozhuo L, DeBacker J, Provencio JJ. RAR-Related Orphan Receptor Gamma T (RoRγt)-Related Cytokines Play a Role in Neutrophil Infiltration of the Central Nervous System After Subarachnoid Hemorrhage. Neurocrit Care. 2020 Aug;33(1):140-151. doi: 10.1007/s12028-019-00871-9. PMID: 31768758; PMCID: PMC7246153.
In vitro protocol:	1. Xiao S, Yosef N, Yang J, Wang Y, Zhou L, Zhu C, Wu C, Baloglu E, Schmidt D, Ramesh R, Lobera M, Sundrud MS, Tsai PY, Xiang Z, Wang J, Xu Y, Lin X, Kretschmer K, Rahl PB, Young RA, Zhong Z, Hafler DA, Regev A, Ghosh S, Marson A, Kuchroo VK. Small-molecule RORγt antagonists inhibit T helper 17 cell transcriptional network by divergent mechanisms. Immunity. 2014 Apr 17;40(4):477-89. doi: 10.1016/j.immuni.2014.04.004. PMID: 24745332; PMCID: PMC4066874.
In vivo protocol:	1. Zhao X, Liang W, Wang Y, Yi R, Luo L, Wang W, Sun N, Yu M, Xu W, Sheng Q, Lu L, Pang J, Lv Z, Wang F. Ontogeny of RORγt+ cells in the intestine of newborns and its role in the development of experimental necrotizing enterocolitis. Cell Biosci. 2022 Jan 4;12(1):3. doi: 10.1186/s13578-021-00739-6. PMID: 34983626; PMCID: PMC8725364. 2. Coulibaly AP, Gartman WT, Swank V, Gomes JA, Ruozhuo L, DeBacker J, Provencio JJ. RAR-Related Orphan Receptor Gamma T (RoRγt)-Related Cytokines Play a Role in Neutrophil Infiltration of the Central Nervous System After Subarachnoid Hemorrhage. Neurocrit Care. 2020 Aug;33(1):140-151. doi: 10.1007/s12028-019-00871-9. PMID: 31768758; PMCID: PMC7246153.

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1: Li J, Zhao J, Chen L, Gao H, Zhang J, Wang D, Zou Y, Qin Q, Qu Y, Li J, Xiong
Y, Min Z, Yan M, Mao Z, Xue Z. α-Synuclein induces Th17 differentiation and
impairs the function and stability of Tregs by promoting RORC transcription in
Parkinson's disease. Brain Behav Immun. 2023 Feb;108:32-44. doi:
10.1016/j.bbi.2022.10.023. Epub 2022 Nov 4. PMID: 36343753.

2: Sun N, Huang Y, Yu M, Zhao Y, Chen JA, Zhu C, Song M, Guo H, Xie Q, Wang Y.
Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists.
Eur J Med Chem. 2020 Sep 15;202:112536. doi: 10.1016/j.ejmech.2020.112536. Epub
2020 Jul 5. PMID: 32698100.

3: Zhu XY, Guo SY, Xia B, Li CQ, Wang L, Wang YH. Development of zebrafish
demyelination model for evaluation of remyelination compounds and RORγt
inhibitors. J Pharmacol Toxicol Methods. 2019 Jul-Aug;98:106585. doi:
10.1016/j.vascn.2019.106585. Epub 2019 May 18. PMID: 31112751.

4: Wang Y, Wang W, Chen W, Liu Q, Zhang Y, Yang D. Characterization of ccl20a.3
and ccl20l as gene markers for Th17 cell in turbot. Fish Shellfish Immunol. 2023
Oct;141:109005. doi: 10.1016/j.fsi.2023.109005. Epub 2023 Aug 19. PMID:
37604262.

5: Lu L, Huang Y, Song M, Sun N, Xia L, Yu M, Zhao M, Qiu R, Chen JA, Zhao Y,
Wang H, Guo H, Li Y, Zhu D, Wang Y, Xie Q. Discovery of Biaryl Amide Derivatives
as Potent, Selective, and Orally Bioavailable RORγt Agonists for Cancer
Immunotherapy. J Med Chem. 2023 Dec 14;66(23):16091-16108. doi:
10.1021/acs.jmedchem.3c01492. Epub 2023 Nov 20. PMID: 37982494.

6: Gao M, Guo L, Wang H, Huang J, Han F, Xiang S, Wang J. Orphan nuclear
receptor RORγ confers doxorubicin resistance in prostate cancer. Cell Biol Int.
2020 Oct;44(10):2170-2176. doi: 10.1002/cbin.11411. Epub 2020 Jul 7. PMID:
32584473.

7: Zhao X, Liang W, Wang Y, Yi R, Luo L, Wang W, Sun N, Yu M, Xu W, Sheng Q, Lu
L, Pang J, Lv Z, Wang F. Ontogeny of RORγt⁺ cells in the intestine of
newborns and its role in the development of experimental necrotizing
enterocolitis. Cell Biosci. 2022 Jan 4;12(1):3. doi: 10.1186/s13578-021-00739-6.
PMID: 34983626; PMCID: PMC8725364.

8: López-Posadas R, Fastancz P, Martínez-Sánchez LDC, Panteleev-Ivlev J, Thonn
V, Kisseleva T, Becker LS, Schulz-Kuhnt A, Zundler S, Wirtz S, Atreya R, Carlé
B, Friedrich O, Schürmann S, Waldner MJ, Neufert C, Brakebusch CH, Bergö MO,
Neurath MF, Atreya I. Inhibiting PGGT1B Disrupts Function of RHOA, Resulting in
T-cell Expression of Integrin α4β7 and Development of Colitis in Mice.
Gastroenterology. 2019 Nov;157(5):1293-1309. doi: 10.1053/j.gastro.2019.07.007.
Epub 2019 Jul 11. PMID: 31302143.

9: Coulibaly AP, Gartman WT, Swank V, Gomes JA, Ruozhuo L, DeBacker J, Provencio
JJ. RAR-Related Orphan Receptor Gamma T (RoRγt)-Related Cytokines Play a Role in
Neutrophil Infiltration of the Central Nervous System After Subarachnoid
Hemorrhage. Neurocrit Care. 2020 Aug;33(1):140-151. doi:
10.1007/s12028-019-00871-9. PMID: 31768758; PMCID: PMC7246153.

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