LSZ-102

COA

级别和纯度:

≥99%

CAS编号: 2135600-76-7
分子式: C₂₅H₁₇F₃O₄S
分子量: 470.46
PubChem编号: 118574930

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货号 (SKU)	包装规格	是否现货
L646669-5mg	5mg	期货
L646669-10mg	10mg	期货
L646669-50mg	50mg	期货

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Estrogen Receptor/ERR (215) Vitamin D Related/Nuclear Receptor (908)

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基本描述

英文别名	AKOS040741976 \| compound 10 [PMID: 29562737] \| SCHEMBL17334098 \| LSZ 102 \| 0Y175XGX4P \| BL166455 \| Q50825475 \| AC-36747 \| HY-111486 \| UNII-0Y175XGX4P \| US10058534, 139 \| (E) -3- (4-((2-(2- (1,1-Difluoroethyl)-4-fluorophenyl)-6-hydroxybenzo[b]thiophen-3-yl
规格或纯度	≥99%
英文名称	LSZ-102
生化机理	LSZ-102 是一种强效、口服生物可利用的选择性雌激素受体降解剂，其 IC 50 为 0.2 nM。
储存温度	-20°C储存,充氩
运输条件	超低温冰袋运输
作用类型	降解剂
产品介绍	LSZ-102 is a potent, orally bioavailable selective estrogen receptor degrader with an IC 50 of 0.2 nM. In Vitro LSZ-102 is a potent, orally bioavailable selective estrogen receptor degrader with an IC 50 of 0.2 nM and currently in Phase I/Ib trials for the treatment of ERα positive breast cancer. LSZ-102 induces significant degradation of ERα after 24 h, when given as a 10 μM solution to MCF-7 cells. Robust inhibition of cell proliferation in MCF-7 cells is observed upon incubation with LSZ-102 with a half inhibitory concentration of 1.7 nM. Results demonstrate that LSZ-102 effectively inhibits the estrogen-induced activation of the ERE-luciferase reporter using charcoal-stripped serum treated with E2 with IC 50 of 0.3 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Treatment of the mice with LSZ-102 once daily at 20 mg/kg results in significant tumor growth inhibition as compare to the control group treated with vehicle alone, resulting in tumor stasis (mean change in tumor volume of LSZ-102 vs control=%ΔT/ΔC of 2.4% on day 48, p<0.05). Dosing of 3 mg/kg solution of LSZ-102 in male Sprague-Dawley rats results in 33% bioavailability and a dose-normalized exposure of 620 nM•h . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:estrogen receptor
纯度	≥99%

关联靶点（人）

ESR1 Tclin 雌激素受体(Estrogen receptor) (3 活性数据)

点击查看靶蛋白信息： ESR1

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

ESR1 Tclin Estrogen receptor alpha (17718 活性数据)

点击查看靶蛋白信息： ESR1

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）

Canis familiaris (36305 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

Mus musculus (284745 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

Rattus norvegicus (775804 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	(E)-3-[4-[[2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
INCHI	1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+
InChi Key	SJXNPGGVGZXKKI-NYYWCZLTSA-N
Smiles	CC(C1=C(C=CC(=C1)F)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)C=CC(=O)O)(F)F
Isomeric SMILES	CC(C1=C(C=CC(=C1)F)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)/C=C/C(=O)O)(F)F
关联CAS	2135600-76-7
PubChem CID	118574930
MeSH Entry Terms	(E)-3-(4-((2-(2-(1,1-Difluoroethyl)-4-fluorophenyl)-6-hydroxybenzo(b)thiophen-3-yl)oxy)phenyl)acrylic acid;LSZ-102;LSZ102
分子量	470.46

化学和物理性质

溶解性	DMSO : 100 mg/mL (212.56 mM; Need ultrasonic) H2O : <0.1 mg/mL (insoluble)
分子量	470.500 g/mol
XLogP3	6.600
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	8
可旋转键计数Rotatable Bond Count	6
精确质量Exact Mass	470.08 Da
单同位素质量Monoisotopic Mass	470.08 Da
拓扑极表面积Topological Polar Surface Area	95.000 Å²
重原子数Heavy Atom Count	33
形式电荷Formal Charge	0
复杂度Complexity	712.000
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	1
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	1
共价键合单元计数Covalently-Bonded Unit Count	1