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Product details

名称

DMU2139

分子类型

小分子

英文别名

2-Propen-1-one,1-(6-methoxy-2-naphthalenyl)-3-(3-pyridinyl)-

英文名称

DMU2139

货号

D412221-100mg

包装规格

100mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

Information DMU2139 is a potent and specific inhibitor ofCYP1B1with IC50 of 9 nM. Targets CYP1B1 (Cell-free assay) 9 nM

生化机理

DMU2139 是一种强效的 CYP1B1 特异性抑制剂，IC50 为 9 nM。

CAS号

104890-70-2

分子式

C19H15NO2

分子量

289.33 g/mol

EC号

PubChem SID: 504767457

PubChem编号

13615899

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CN=CC=C3

IIUPAC Name

(E)-1-(6-methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one

INCHI

1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+

InChi Key

MPDPEUALCUWORP-RUDMXATFSA-N

Smiles

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CN=CC=C3

PubChem SID

504767457

溶解性

Solubility (25°C) In vitro DMSO: 58 mg/mL (200.46 mM); Ethanol: 5 mg/mL (17.28 mM); Water: Insoluble;

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

289.11 Da

单同位素质量Monoisotopic Mass

289.11 Da

拓扑极表面积Topological Polar Surface Area

39.200 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

406.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.800

ALogP

3.443

IC50

CYP1B1, IC50: 9 nM

Reaxy-Rn

35887544

DMSO(mg / mL) Max Solubility

DMSO(mM) Max Solubility

200.463138976255

Water(mg / mL) Max Solubility

＜1

hba_count

Rotatable Bond

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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