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XL041

COA

级别和纯度:

≥99%

CAS编号: 1256918-39-4
分子式: C₂₉H₂₈Cl₂F₂N₂O₄S
分子量: 609.51
PubChem编号: 49787490

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货号 (SKU)	包装规格	是否现货
X651893-1mg	1mg	期货
X651893-5mg	5mg	期货
X651893-10mg	10mg	期货
X651893-50mg	50mg	期货
X651893-100mg	100mg	期货

查看相关系列

LXR (28) Metabolic Enzyme/Protease (4889) Vitamin D Related/Nuclear Receptor (908) 脂质代谢 (4331)

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基本描述

英文别名	SCHEMBL779963 \| 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 \| HY-101973 \| BMS-852927 \| EXEL-04541041 \| MS-30688 \| XL041 \| XL-041 \| 2-[2-[2-[2,6-Bis(Chloranyl)p
规格或纯度	≥99%
英文名称	XL041
生化机理	XL041 （BMS-852927）是一种 LXRβ 选择性激动剂。
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	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
纯度	≥99%

关联靶点（人）

NR1H2 Tchem 氧固醇受体 LXR-β(Oxysterols receptor LXR-beta) (4 活性数据)

点击查看靶蛋白信息： NR1H2

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

NR1H3 Tchem 氧固醇受体 LXR-alpha(Oxysterols receptor LXR-alpha) (2 活性数据)

点击查看靶蛋白信息： NR1H3

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

ALB Tchem Serum albumin (2651 活性数据)

点击查看靶蛋白信息： ALB

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

NR1H3 Tchem LXR-alpha (2891 活性数据)

点击查看靶蛋白信息： NR1H3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

NR1I2 Tchem Pregnane X receptor (6667 活性数据)

点击查看靶蛋白信息： NR1I2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ORM1 Tbio Alpha-1-acid glycoprotein 1 (19 活性数据)

点击查看靶蛋白信息： ORM1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

NR1H2 Tchem LXR-beta (3841 活性数据)

点击查看靶蛋白信息： NR1H2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta (97 活性数据)

点击查看靶蛋白信息： RXRA

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Cynomolgus monkey (4946 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

分子类型	小分子
IIUPAC 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
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
InChi Key	HNAJDMYOTDNOBK-UHFFFAOYSA-N
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
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
关联CAS	1256918-39-4
PubChem CID	49787490
分子量	609.51

化学和物理性质

溶解性	DMSO : 100 mg/mL (164.07 mM; Need ultrasonic)
分子量	609.500 g/mol
XLogP3	5.700
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	7
可旋转键计数Rotatable Bond Count	7
精确质量Exact Mass	608.111 Da
单同位素质量Monoisotopic Mass	608.111 Da
拓扑极表面积Topological Polar Surface Area	101.000 Å²
重原子数Heavy Atom Count	40
形式电荷Formal Charge	0
复杂度Complexity	974.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1