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SR1903 TFA

CAT: 0013-GTR19210343-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210343-01Size:25 mg
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Description
SR-1903 is a dual modulator acting as an inverse agonist of RORγ and an agonist of LXR, with additional binding to PPARγ without activation. It suppresses LPS-induced inflammatory pathways, including TREM-1, IL-6, and IL-33, while promoting lipid metabolism genes like ABCG1. This compound has demonstrated efficacy in preclinical models of autoimmune arthritis and metabolic disorders, reducing inflammation, cholesterol, and body weight.
CAS Number
2351884-03-0
Field of Research
Immunology & Inflammation
Smiles
C (C (O) =O) (F) (F) F.CC1=C (C2=CC=C (C (C (F) (F) F) (C (F) (F) F) O) C=C2) C=CC (CN3CCN (CC=4C=CN=CC4) CC3) =C1
Molecular Formula
C29H28F9N3O3
Molecular Weight
637.54
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;2,2,2-trifluoroacetic acid
CAS Number2351884-03-0
PubChem CID172652792
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;2,2,2-trifluoroacetic acid
Molecular FormulaC29H28F9N3O3
Molecular Weight637.5
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity779
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.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C27H27F6N3O.C2HF3O2/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;3-2(4,5)1(6)7/h2-11,16,37H,12-15,17-18H2,1H3;(H,6,7)
InChIKey
QBVZDSMHTOGPNF-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;2,2,2-trifluoroacetic acid
CAS: 2351884-03-0
CID: 172652792
Formula: C29H28F9N3O3
MW: 637.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass637.19869522
Monoisotopic Mass637.19869522
Topological Polar Surface Area76.9 Ų
Heavy Atom Count44
Formal Charge0
Complexity779
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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