Products for Research Use Only

SR 1903

CAT: 0013-GTR19191982-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19191982-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
SR 1903 is a dual modulator acting as an inverse agonist of RORγ and an agonist of LXR, with additional binding to PPARγ. It suppresses pro-inflammatory pathways in vitro and demonstrates efficacy in mouse models of arthritis and obesity by improving metabolic parameters and reducing disease severity.
CAS Number
1414248-06-8
Field of Research
Metabolism Research, Molecular Biology
Purity
99.93% (May vary between batches)
Smiles
FC (F) (F) C (O) (C1=CC=C (C=C1) C=2C=CC (=CC2C) CN3CCN (CC=4C=CN=CC4) CC3) C (F) (F) F
Molecular Formula
C27H27F6N3O
Molecular Weight
523.51
Storage Conditions
-20°C
Notes
For research use only.

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...
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