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SR-1903

CAT: 0804-HY-138007-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138007-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SR-1903 is an inverse agonist of RORγ and PPARγ (IC50 of ∼100 nM and 209 nM for RORγ and PPARγ, respectively) and a LXR agonist. SR-1903 exhibits anti-inflammatory and anti-diabetic efficacy in collagen-induced arthritis and diet-induced obesity mouse models[1].
CAS Number
1414248-06-8
UNSPSC
12352005
Target
LXR; PPAR; ROR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/sr-1903.html
Smiles
OC(C(F)(F)F)(C(F)(F)F)C1=CC=C(C2=CC=C(CN3CCN(CC4=CC=NC=C4)CC3)C=C2C)C=C1
Molecular Formula
C27H27F6N3O
Molecular Weight
523.51
References & Citations
[1] Chang MR, et al. Unique Polypharmacology Nuclear Receptor Modulator Blocks Inflammatory Signaling Pathways. ACS Chem Biol. 2019, 14 (5) :1051-1062.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PPARγ; RORγ

Chemical Information

1,1,1,3,3,3-Hexafluoro-2-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CAS Number1414248-06-8
PubChem CID71470724
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
Molecular FormulaC27H27F6N3O
Molecular Weight523.5
XLogP5.2
Topological Polar Surface Area39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity696
SMILES
CC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC=NC=C3)C4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C27H27F6N3O/c1-19-16-21(18-36-14-12-35(13-15-36)17-20-8-10-34-11-9-20)2-7-24(19)22-3-5-23(6-4-22)25(37,26(28,29)30)27(31,32)33/h2-11,16,37H,12-15,17-18H2,1H3
InChIKey
HSUQYJQLSYQEOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1,3,3,3-Hexafluoro-2-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CAS: 1414248-06-8
CID: 71470724
Formula: C27H27F6N3O
MW: 523.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass523.20583147
Monoisotopic Mass523.20583147
Topological Polar Surface Area39.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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