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Product details

名称

ML-109

分子类型

小分子

英文别名

英文名称

ML-109

货号

M651343-5mg

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

ML-109 is a potent and full thyroid stimulating hormone receptor (TSHR) agonist, with an EC 50 of 40 nM. In Vitro ML-109 (Compound 2) is a full agonist at TSHR with an EC 50 of 40 nM and, like compound 1, it has no activity at FSHR or LHCGR. ML-109 contains an aminal, a functional group that is subject to hydrolysis and/or other degradation mechanisms. ML-109 is surprisingly stable at neutral and basic conditions (t 1/2 of ~16 h) but is found to degrade at low pH (t 1/2 of ~3 h). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:EC50: 40 nM (TSHR)

生化机理

ML-109 是一种强效、全面的促甲状腺激素受体（TSHR）激动剂，EC 50 为 40 nM。

CAS号

1186649-91-1

分子式

C31H29N3O5

分子量

523.58 g/mol

PubChem编号

25246343

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C3NC4=C(C(=CC=C4)O)C(=O)N3CC5=CC=CC=C5)OC

IIUPAC Name

N-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide

INCHI

1S/C31H29N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)

InChi Key

JRVXFGNCHKHBPA-UHFFFAOYSA-N

Smiles

CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C3NC4=C(C(=CC=C4)O)C(=O)N3CC5=CC=CC=C5)OC

PubChem CID

25246343

关联CAS

1186649-91-1

溶解性

DMSO : 83.33 mg/mL (159.15 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

523.211 Da

单同位素质量Monoisotopic Mass

523.211 Da

拓扑极表面积Topological Polar Surface Area

100.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

812

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.1

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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