≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
XL041 (BMS-852927) is an LXRβ -selective agonist.
In Vitro
XL041 (BMS-852927) is an LXRβ-selective agonist with 20% LXRα and 88% LXRβ activity compared to a full pan agonist in transactivation assays. XL041 is potent, with an EC 50 =9 nM and 26% activity in an in vitro human whole-blood endogenous target gene activation assay (WBA). BMS-852927 has similar binding affinity to LXRα and LXRβ (19 and 12 nM, respectively). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
XL041 (BMS-852927), has a very favorable profile at efficacious doses in cynomolgus monkeys and mice. XL041 pre-treatment of C57BL/6J mice for 7 days results in potent, dose-dependent stimulation of cholesterol efflux in this system, reaching a maximum in the 3 mg/kg/day dose group of 70% above vehicle in the initial efflux rate. Similar results are obtained in LDLR knockout (KO) mice. In a separate study, XL041 inhibits the progression of atherosclerosis in a 12 week study in LDLR KO mice. Importantly, the dose response for inhibition of atherosclerosis (0.1-3 mg/kg/day) is similar to the dose response for macrophage reverse cholesterol transport (RCT) stimulation (0.03-3 mg/kg/day), a major underlying mechanism through which LXR agonists affect the disease . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:LXRβ
| Canonical Smiles | CC(C)(C1=CN(C(=N1)C(C)(C)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)F)O |
|---|---|
| IUPAC Name | 2-[2-[2-(2,6-dichlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol |
| InChIKey | HNAJDMYOTDNOBK-UHFFFAOYSA-N |
| INCHI | 1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3 |
| Isomeric SMILES | CC(C)(C1=CN(C(=N1)C(C)(C)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)F)O |
| Alternate CAS | 1256918-39-4 |
| PubChem CID | 49787490 |
| Molecular Weight | 609.51 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →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 | Phenylimidazoles Phenylpropanes Benzenesulfonyl compounds 1,2,4-trisubstituted imidazoles Benzyl alcohols Dichlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides N-substituted imidazoles Tertiary alcohols Sulfones Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Aromatic alcohols Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Biphenyl - 1-phenylimidazole - Benzenesulfonyl group - Phenylpropane - 1,2,4-trisubstituted-imidazole - Benzyl alcohol - 1,3-dichlorobenzene - Trisubstituted imidazole - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - N-substituted imidazole - Tertiary alcohol - Sulfonyl - Sulfone - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organohalogen compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - 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 |
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| Solubility | DMSO : 100 mg/mL (164.07 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 609.500 g/mol |
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 608.111 Da |
| Monoisotopic Mass | 608.111 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 974.000 |
| 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 |
