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Product details

名称

DMU2139

分子类型

小分子

英文名称

DMU2139

货号

D650441-5mg

包装规格

5mg

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

DMU2139 is a potent and specific CYP1B1 inhibitor, with IC 50 s of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively. In Vitro DMU2139 (6j) shows 88 and 133-fold selectivity for CYP1B1 over CYP1A1 and CYP1A2. In the presence of DMU2139, the EC 50 is reversed back to 8.3 μM from 61 μM (seen in CYP1B1-expressing cells without any inhibitor). The EC 50 value, in the presence of DMU2139, resembles the EC 50 of cisplatin, 8.7μM, in cells transfected with the empty plasmid which has no CYP1B1 gene and therefore cannot express CYP1B1 protein. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:CYP1B1 9 nM (IC 50 ) CYP1A1 795 nM (IC 50 )

生化机理

DMU2139 是一种强效的特异性 CYP1B1 抑制剂，对 CYP1B1 和 CYP1A1 的 IC 50 s 分别为 9 nM 和 795 nM。

CAS号

1821143-80-9

分子式

C19H15NO2

分子量

289.3 g/mol

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

溶解性

DMSO : 77.5 mg/mL (267.86 mM; Need ultrasonic) Ethanol : 5 mg/mL (17.28 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

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

Reaxy-Rn

35887544

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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