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SR1555 (hydrochloride)

CAT: 0804-HY-120785ASize: 1 EachDry Ice: NoHazardous: No
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Description
SR1555 hydrochloride is the hydrochloride salt form of SR1555. SR1555 hydrochloride is an inverse agonist for retinoic acid receptor-related orphan nuclear receptor γ (RORγ) with an IC50 of 1 μM. SR1555 hydrochloride inhibits the development and function of pro-inflammatory TH17 cell, increases the frequency of anti-inflammatory T regulatory (Treg) cells. SR1555 hydrochloride can be used for research about autoimmune diseases[1].
CAS Number
2309312-90-9
UNSPSC
12352005
Target
ROR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/sr1555-hydrochloride.html
Smiles
CC(N1CCN(CC2=CC=C(C3=CC=C(C(C(F)(F)F)(O)C(F)(F)F)C=C3)C=C2)CC1)=O.Cl
Molecular Formula
C22H23ClF6N2O2
Molecular Weight
496.87
References & Citations
[1]Solt LA, Kumar N, He Y, Kamenecka TM, Griffin PR, Burris TP. Identification of a selective RORγ ligand that suppresses T (H) 17 cells and stimulates T regulatory cells. ACS Chem Biol. 2012 Sep 21;7 (9) :1515-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SR 1555 (hydrochloride)
CAS Number2309312-90-9
PubChem CID132285125
IUPAC Name1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanone;hydrochloride
Molecular FormulaC22H23ClF6N2O2
Molecular Weight496.9
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity615
SMILES
CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O.Cl
InChI
InChI=1S/C22H22F6N2O2.ClH/c1-15(31)30-12-10-29(11-13-30)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20(32,21(23,24)25)22(26,27)28;/h2-9,32H,10-14H2,1H3;1H
InChIKey
OHUOFZJUUXXRGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR 1555 (hydrochloride)
CAS: 2309312-90-9
CID: 132285125
Formula: C22H23ClF6N2O2
MW: 496.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass496.1352246
Monoisotopic Mass496.1352246
Topological Polar Surface Area43.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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