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Product details

名称

DMU2105

分子类型

小分子

英文名称

DMU2105

货号

D651729-5mg

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

DMU2105 is a potent and specific CYP1B1 inhibitor, with IC 50 s of 10 nM and 742 nM for CYP1B1 and CYP1A1, respectively. In Vitro DMU2105 (Compound 7k) shows 74 and 120-fold selectivity for CYP1B1 over CYP1A1 and CYP1A2. In the presence of DMU2105 however, the EC 50 goes down to 1 μM indicating that the cells have suffered from toxicity which may have been mediated by CYP1B1 inhibition. Un-transfected cells (HEK293: pcDNA3.1), when treated with cisplatin and DMU2105 (10×IC 50 ) do not show any perceptible decrease of cisplatin EC 50 (8.5 μM ± 0.9). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:CYP1B1 10 nM (IC 50 ) CYP1A1 742 nM (IC 50 )

生化机理

DMU2105 是一种强效的特异性 CYP1B1 抑制剂，对 CYP1B1 和 CYP1A1 的 IC 50 s 分别为 10 nM 和 742 nM。

CAS号

1821143-79-6

分子式

C18H13NO

分子量

259.30 g/mol

PubChem编号

8854335

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)C3=CN=CC=C3

IIUPAC Name

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

INCHI

1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+

InChi Key

VWBDGXJRQZDLRV-CSKARUKUSA-N

Smiles

C1=CC=C2C=C(C=CC2=C1)C=CC(=O)C3=CN=CC=C3

溶解性

DMSO : 33.33 mg/mL (128.54 mM; ultrasonic and warming and heat to 60°C)

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

259.1 Da

单同位素质量Monoisotopic Mass

259.1 Da

拓扑极表面积Topological Polar Surface Area

30.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

362.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.900

Reaxy-Rn

35887540

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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