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名称
ML224
英文名称
ML224
货号
M651548-5mg
包装规格
5mg
浓度
≥99%
储存温度
-20°C储存
运输条件
超低温冰袋运输
产品介绍
ML224 (NCGC00242364) is a selective TSHR antagonist with an IC 50 value of 2.1 µM. ML224 can be used in the study of Graves' disease and other thyroid disorders. In Vitro ML224 (0.001-100 μM; 20 min) exhibits half-maximal inhibitory doses of 2.1 μM for TSHR and greater than 30 μM for LH and FSH receptors in human embryonic kidney 293 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Human embryonic kidney 293 cells (stably expressing TSHRs, LHRs, or FSHRs) Concentration: 0.001-100 µM Incubation Time: 20 min Result: Showed the IC 50 for stimulation by bovine TSH (1.8 nM) was 2.1 µM. Showed inhibition of LH and FSH stimulation was less than 15% for LH (1 nM) and less than 30% for FSH (1 nM) at 30 µM. In Vivo ANTAG3 (2 mg/mice; i.p. via osmotic pump; single daily for 3 days) lowers serum FT4 levels and thyroidal mRNAs for TPO and NIS in mice continuously stimulated by TRH . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female BALB/c mice (8 to 13-week-old; ~18.7 g) . Dosage: 2 mg/mice Administration: Intraperitoneal injection via osmotic pump; single daily for 3 days Result: Lowered the levels of FT4 by 44%, and the levels of TPO and NIS mRNAs by 75% and 83%, respectively. Form:Solid IC50& Target:TSHR 2.1 μM (IC 50 ) LHR ＞30 μM (IC 50 ) FSHR ＞30 μM (IC 50 )
生化机理
ML224 (NCGC00242364) 是一种选择性 TSHR 拮抗剂，IC 50 值为 2.1 µM。ML224 可用于研究巴塞杜氏病和其他甲状腺疾病。
CAS号
1338824-21-7
分子式
C31H31N3O5
分子量
525.59 g/mol
PubChem编号
50897809
Isomeric SMILES
CC1=CC(=CC(=C1OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC)C)NC(=O)C
IIUPAC Name
N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
INCHI
1S/C31H31N3O5/c1-19-14-24(32-21(3)35)15-20(2)29(19)39-18-23-16-22(11-12-28(23)37-4)30-33-27-10-6-5-9-26(27)31(36)34(30)17-25-8-7-13-38-25/h5-16,30,33H,17-18H2,1-4H3,(H,32,35)
InChi Key
BFTSWGYWHRJVNI-UHFFFAOYSA-N
Smiles
CC1=CC(=CC(=C1OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC)C)NC(=O)C
PubChem CID
50897809
MeSH Entry Terms
NCGC00242364
溶解性
DMSO : 100 mg/mL (190.26 mM; Need ultrasonic)
氢键供体数Hydrogen Bond Donor Count
2
氢键受体数Hydrogen Bond Acceptor Count
6
可旋转键计数Rotatable Bond Count
8
精确质量Exact Mass
525.226 Da
单同位素质量Monoisotopic Mass
525.226 Da
拓扑极表面积Topological Polar Surface Area
93.000 Ų
重原子数Heavy Atom Count
39
形式电荷Formal Charge
0
复杂度Complexity
829.000
同位素原子数Isotope Atom Count
0
共价键合单元计数Covalently-Bonded Unit Count
1
XLogP3
4.700
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ML224 5mg
品牌：阿拉丁
货号：M651548-5mg
级别： ≥99%
货期：30天
已售 397 件
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