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.
MedKoo Cat#: 555509
Name: GSK805
CAS#: 1426802-50-7
Chemical Formula: C23H18Cl2F3NO4S
Exact Mass: 531.0286
Molecular Weight: 532.3552
Elemental Analysis: C, 51.89; H, 3.41; Cl, 13.32; F, 10.71; N, 2.63; O, 12.02; S, 6.02
Synonym: GSK805; GSK805; 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
| 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/ |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMF | 3.0 | 5.64 | |
| DMSO | 68.33 | 128.36 | |
| DMSO:PBS (pH 7.2) (1:2) | 0.3 | 0.56 | |
| Ethanol | 50.0 | 93.92 |
The following data is based on the product molecular weight 532.3552 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. |
