SR1001 | CAS# 1335106-03-0 | ROR Ligand

SR1001
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 574411

CAS#: 1335106-03-0

Description: SR1001 is a novel ROR Ligand that suppresses TH17 differentiation and autoimmunity.

Chemical Structure

SR1001

CAS# 1335106-03-0

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 574411
Name: SR1001
CAS#: 1335106-03-0
Chemical Formula: C15H13F6N3O4S2
Exact Mass: 477.03
Molecular Weight: 477.390
Elemental Analysis: C, 37.74; H, 2.74; F, 23.88; N, 8.80; O, 13.41; S, 13.43

Price and Availability

Size	Price	Availability
25mg	USD 250	2 Weeks
50mg	USD 450	2 Weeks
100mg	USD 750	2 Weeks
200mg	USD 1250	2 Weeks
500mg	USD 2150	2 Weeks
1g	USD 2950	2 Weeks
2g	USD 5250	2 Weeks
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: SR1001, SR 1001, SR-1001

IUPAC/Chemical Name: N-[4-Methyl-5-[[[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]sulfonyl]-2-thiazolyl]-acetamide

InChi Key: OZBSSKGBKHOLGA-UHFFFAOYSA-N

InChi Code: InChI=1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)

SMILES Code: CC(NC1=NC(C)=C(S(=O)(NC2=CC=C(C(C(F)(F)F)(O)C(F)(F)F)C=C2)=O)S1)=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, DMF, and ethanol

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:

Product Data:

Product Data

Instruction:

View handling instruction

Biological target:	SR1001 is a selective RORα and RORγt inverse agonist with Kis 172 and 111 nM, respectively.
In vitro activity:	This study suggests that simvastatin-mediated macrophage apoptosis might be modulated by SR1001 administration. Compared with non-treated controls, simvastatin significantly decreased THP-1 macrophage cell viability (p=0.04) and cell count (p=0.03). However, this negative effect of simvastatin seemed to be partly prevented by SR1001. Reference: Anatol J Cardiol. 2017 May;17(5):362-366. https://pubmed.ncbi.nlm.nih.gov/28613211/
In vivo activity:	SR1001 inhibited TH17 cell differentiation and function by binding to RORα and RORγt, altering their transcriptional activity. SR1001 effectively suppressed TH17 cell development and cytokine expression in mice and human cells, suggesting potential for treating autoimmune diseases. Reference: Nature. 2011 Apr 28;472(7344):491-4. https://pubmed.ncbi.nlm.nih.gov/21499262/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	20.0	41.89
	DMSO	20.0	41.89
	Ethanol	30.0	62.84

Preparing Stock Solutions

The following data is based on the product molecular weight 477.39 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. Çoban N, Güleç Ç, Özsait Selçuk B, Erginel-Ünaltuna N. Role of simvastatin and RORα activity in the macrophage apoptotic pathway. Anatol J Cardiol. 2017 May;17(5):362-366. doi: 10.14744/AnatolJCardiol.2016.7411. Epub 2017 Feb 1. PMID: 28613211; PMCID: PMC5469082. 2. Xiao L, Zhang Z, Luo X, Yang H, Li F, Wang N. Retinoid acid receptor-related orphan receptor alpha (RORα) regulates macrophage M2 polarization via activation of AMPKα. Mol Immunol. 2016 Dec;80:17-23. doi: 10.1016/j.molimm.2016.10.006. Epub 2016 Oct 24. PMID: 27788394. 3. Liu P, Xiao Z, Lu X, Zhang X, Huang J, Li C. Fasudil and SR1001 synergistically protect against sepsis-associated pancreatic injury by inhibiting RhoA/ROCK pathway and Th17/IL-17 response. Heliyon. 2023 Sep 18;9(9):e20118. doi: 10.1016/j.heliyon.2023.e20118. PMID: 37809525; PMCID: PMC10559842. 4. Solt LA, Kumar N, Nuhant P, Wang Y, Lauer JL, Liu J, Istrate MA, Kamenecka TM, Roush WR, Vidović D, Schürer SC, Xu J, Wagoner G, Drew PD, Griffin PR, Burris TP. Suppression of TH17 differentiation and autoimmunity by a synthetic ROR ligand. Nature. 2011 Apr 28;472(7344):491-4. doi: 10.1038/nature10075. Epub 2011 Apr 17. PMID: 21499262; PMCID: PMC3148894.
In vitro protocol:	1. Çoban N, Güleç Ç, Özsait Selçuk B, Erginel-Ünaltuna N. Role of simvastatin and RORα activity in the macrophage apoptotic pathway. Anatol J Cardiol. 2017 May;17(5):362-366. doi: 10.14744/AnatolJCardiol.2016.7411. Epub 2017 Feb 1. PMID: 28613211; PMCID: PMC5469082. 2. Xiao L, Zhang Z, Luo X, Yang H, Li F, Wang N. Retinoid acid receptor-related orphan receptor alpha (RORα) regulates macrophage M2 polarization via activation of AMPKα. Mol Immunol. 2016 Dec;80:17-23. doi: 10.1016/j.molimm.2016.10.006. Epub 2016 Oct 24. PMID: 27788394.
In vivo protocol:	1. Liu P, Xiao Z, Lu X, Zhang X, Huang J, Li C. Fasudil and SR1001 synergistically protect against sepsis-associated pancreatic injury by inhibiting RhoA/ROCK pathway and Th17/IL-17 response. Heliyon. 2023 Sep 18;9(9):e20118. doi: 10.1016/j.heliyon.2023.e20118. PMID: 37809525; PMCID: PMC10559842. 2. Solt LA, Kumar N, Nuhant P, Wang Y, Lauer JL, Liu J, Istrate MA, Kamenecka TM, Roush WR, Vidović D, Schürer SC, Xu J, Wagoner G, Drew PD, Griffin PR, Burris TP. Suppression of TH17 differentiation and autoimmunity by a synthetic ROR ligand. Nature. 2011 Apr 28;472(7344):491-4. doi: 10.1038/nature10075. Epub 2011 Apr 17. PMID: 21499262; PMCID: PMC3148894.

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1. Solt, L.A., Kumar, N., Nuhant, P., et al. Suppression of TH17 differentiation and autoimmunity by a synthetic ROR ligand. Nature 472(7344), 491-494 (2011).

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