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Product details

名称

DMU2105

分子类型

小分子

英文别名

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

英文名称

DMU2105

货号

D412220-100mg

包装规格

100mg

浓度

≥98%

储存温度

避光,-20°C储存

运输条件

超低温冰袋运输

敏感性

对光线敏感

产品介绍

DMU2105 是一种有效且特异的 CYP1B1 抑制剂，其IC50值为10 nM。 Information DMU2105 is a potent and specific inhibitor ofCYP1B1with IC50 of 10 nM. Targets CYP1B1 (Cell-free assay) 10 nM

生化机理

DMU2105 是一种强效的 CYP1B1 特异性抑制剂，IC50 为 10 nM。

CAS号

1031063-36-1

分子式

C18H13NO

分子量

259.3 g/mol

EC号

PubChem SID: 504764788

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

PubChem SID

504764788

溶解性

Solubility (25°C) In vitro DMSO: 25 mg/mL (96.41 mM); Ethanol: 2 mg/mL (7.71 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

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

ALogP

3.459

IC50

CYP1B1, IC50: 10 nM

Reaxy-Rn

35887540

DMSO(mg / mL) Max Solubility

DMSO(mM) Max Solubility

96.4134207481681

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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