XL041 - Moligand™, ≥99% , CAS No.1256918-39-4

CAS: 1256918-39-4 Cat. No.: X651893 Formula: C29H28Cl2F2N2O4S Peso molecolare: 609.51 PubChem CID: 49787490
Disponibile su ordine
QUALITÀ & PUREZZA Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
2-(2-(2-(2,6-dichlorophenyl)propan-2-yl)-1-(3,3'-difluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)biphenyl-4-yl)-1H-imidazol-4-yl)propan-2-ol | BMS-852927 | EXEL-04541041
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Dimensione
Germania (EU)
USA*
Prezzo
Qtà
1mg
X651893-1mg
Su ordinazione · 8–12 settimane
190,82€
5mg
X651893-5mg
Su ordinazione · 8–12 settimane
572,62€
25mg
X651893-25mg
Su ordinazione · 8–12 settimane
1.718,04€
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Perché questa qualità

Moligand™, ≥99% Moligand™ per flussi di lavoro cromatografici e analitici sensibili che richiedono un'interferenza minima della linea di base.

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Stoccaggio e spedizione

Store at -20°C Spedizione Ice chest + Ice pads. Consultare il COA specifico del lotto per le specifiche esatte.

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Documenti di qualità

SDS, COA, scheda tecnica e scheda delle specifiche disponibili per il download. COA specifico del lotto accessibile tramite ricerca per numero di lotto.

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Prova documentale

Citato in 0 pubblicazioni peer-reviewed su cromatografia, sintesi organica e reazioni di accoppiamento incrociato.

Panoramica

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

Specifiche

Sinonimi
2-(2-(2-(2,6-dichlorophenyl)propan-2-yl)-1-(3,3'-difluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)biphenyl-4-yl)-1H-imidazol-4-yl)propan-2-ol | BMS-852927 | EXEL-04541041
Specifiche e purezza
Moligand™, ≥99%
Meccanismi biochimici e fisiologici
XL041 (BMS-852927) is an LXRβ -selective agonist.
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Grado
Moligand™
Tipo di azione
AGONIST
Purezza
≥99%
Nomi e identificatori
Sorrisi canonici
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
Isomeri 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
CAS alternativo
1256918-39-4
PubChem CID
49787490
Peso molecolare
609.51

Documentazione

📋 Scheda di dati di sicurezza (SDS)

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Dati avanzati

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBiphenyls and derivatives
Intermediate Tree Nodes Not available
Direct ParentBiphenyls 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 FrameworkAromatic 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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
NR1H2 Tchem Oxysterols receptor LXR-beta (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR1H3 Tchem Oxysterols receptor LXR-alpha (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALB Tchem Serum albumin (2651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H3 Tchem LXR-alpha (2891 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1I2 Tchem Pregnane X receptor (6667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ORM1 Tbio Alpha-1-acid glycoprotein 1 (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H2 Tchem LXR-beta (3841 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta (97 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàDMSO : 100 mg/mL (164.07 mM; Need ultrasonic)
Peso molecolare609.500 g/mol
XLogP35.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass608.111 Da
Monoisotopic Mass608.111 Da
Topological Polar Surface Area101.000 Ų
Heavy Atom Count40
Formal Charge0
Complexity974.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

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