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SR 2211 - ≥98%(HPLC), high purity , CAS No.1359164-11-6, Agonist of RAR-related orphan receptor-γ

COA COA
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Item Number
S288529
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S288529-5mg
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$127.90
S288529-10mg
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S288529-25mg
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S288529-50mg
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S288529-100mg
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Selective RORγ inverse agonist

View related series
Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) RAR-related orphan receptor-γ Agonist (16) ROR (47) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms SR-03000002211-1 | MLS004256334 | 2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-alpha,alpha-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol | 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-4'-((4-(pyridin-4-ylmethyl)piperazin-1-yl)methyl)-[1,1'-biphenyl]-
Specifications & Purity Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms SR2211 (ML310) is a potent and selective inverse agonist of retinoic acid receptor-related orphan receptor gamma (RORγ). RORγ is essential for interleukin 17 expression and differentiation of TH17 cells, important in autoimmune diseases including multiple
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type AGONIST
Mechanism of action Agonist of RAR-related orphan receptor-γ
Product Description

SR2211 is a potent and selective synthetic RORγ modulator (Ki: 105 nM and an IC50: ~320 nM).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Biphenyls and derivatives
Intermediate Tree Nodes Not available
Direct Parent Biphenyls and derivatives
Alternative Parents Phenylmethylamines  Benzylamines  Aralkylamines  N-alkylpiperazines  Fluorobenzenes  Aryl fluorides  Pyridines and derivatives  Tertiary alcohols  Heteroaromatic compounds  Fluorohydrins  Trialkylamines  Azacyclic compounds  Hydrocarbon derivatives  Organofluorides  Alkyl fluorides  Aromatic alcohols  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Biphenyl - Benzylamine - Phenylmethylamine - Halobenzene - Aralkylamine - Fluorobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Pyridine - Piperazine - Heteroaromatic compound - Tertiary alcohol - Halohydrin - Fluorohydrin - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors Not available

Associated Targets(Human)

RORC Tchem Nuclear receptor ROR-gamma (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR1H3 Tchem LXR-alpha (2891 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DU-145 (51482 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LNCaP (8286 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CWR22R (2180 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RORA Tchem Nuclear receptor ROR-alpha (562 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RORB Tchem Nuclear receptor ROR-beta (600 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LNCaP C4-2B (271 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
INCHI InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
InChIKey KVHKWAZUPPBMLL-UHFFFAOYSA-N
Smiles C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)CC4=CC=NC=C4
Isomeric SMILES C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)CC4=CC=NC=C4
PubChem CID 51035449
Molecular Weight 527.48

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 52.75, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 26.37, Max Conc. mM: 50
Molecular Weight 527.500 g/mol
XLogP3 4.900
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 6
Exact Mass 527.181 Da
Monoisotopic Mass 527.181 Da
Topological Polar Surface Area 39.600 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 698.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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