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名称

Diflapolin, 环氧化物水解酶 2 抑制剂

分子类型

小分子

别名

迪弗林

英文名称

Diflapolin

货号

D609883-5mg

包装规格

5mg

级别

Moligand™

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

Diflapolin 是一种高活性的双 5-脂氧合酶激活蛋白 (FLAP)/可溶性环氧化物水解酶 (sEH) 抑制剂，具有显著的抗炎作用和较高的靶向选择性。Diflapolin 抑制 IC50 分别为 30 和 170 nM 的完整人单核细胞和中性粒细胞中 5-LOX 产物的形成，并抑制分离的 sEH 的活性(IC50=20 nM)。 Diflapolin is a highly active dual 5-lipoxygenase-activating protein (FLAP)/soluble epoxide hydrolase (sEH) inhibitor with marked anti-inflammatory efficacy and high target selectivity. Diflapolin inhibits 5-LOX product formation in intact human monocytes and neutrophils with IC50s of 30 and 170 nM, respectively, and suppressed the activity of isolated sEH (IC50=20 nM).

CAS号

724453-98-9

分子式

C22H17Cl2N3O2S

分子量

458.36 g/mol

PubChem编号

4560409

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=C(C=C4)Cl)Cl

IIUPAC Name

1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3,4-dichlorophenyl)urea

INCHI

1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28)

InChi Key

FGXLEECGXSDIMM-UHFFFAOYSA-N

Smiles

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=C(C=C4)Cl)Cl

PubChem CID

4560409

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

457.042 Da

单同位素质量Monoisotopic Mass

457.042 Da

拓扑极表面积Topological Polar Surface Area

91.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

587

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

6.1

作用类型

抑制剂

作用机制

环氧化物水解酶 2 抑制剂

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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