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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
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Why this grade
Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
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).
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
Specifications
Specifications & Purity
Moligand™, ≥99%
Biochemical and Physiological Mechanisms
XL041 (BMS-852927) is an LXRβ -selective agonist.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
AGONIST
Purity
≥99%
Names and Identifiers
| 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 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Class Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
- Class Benzene and substituted derivatives
- Superclass Benzenoids
| 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 |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
NR1H2 Tchem Oxysterols receptor LXR-beta (4 Activities)
NR1H3 Tchem Oxysterols receptor LXR-alpha (2 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
ALB Tchem Serum albumin (2651 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NR1H3 Tchem LXR-alpha (2891 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NR1I2 Tchem Pregnane X receptor (6667 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ORM1 Tbio Alpha-1-acid glycoprotein 1 (19 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NR1H2 Tchem LXR-beta (3841 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Homo sapiens (32628 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RXRA Tclin Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta (97 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Cynomolgus monkey (4946 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| 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 |
Solution Calculators
Reviews
Customer Reviews
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