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Product details

名称

AER-271

分子类型

未知

英文别名

英文名称

AER-271

货号

A649710-5mg

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

AER-271 是一种 AER-270 的膦酸酯前药，是aquaporin-4抑制剂，有用于急性缺血性中风的研究潜力。 AER-271 is an inhibitor of aquaporin-4. In Vivo：Treatment with AER-271 ameliorated early cerebral edema measured at 3 h after CA vs vehicle treated rats. This treatment also attenuated early NDS. In contrast to rats treated with vehicle after CA, rats treated with AER-271 did not develop significant neuronal death or neuroinflammation as compared to sham. IC50& Target:Aquaporin-4 (AQP4)

生化机理

AER-271 是选择性水通道蛋白 4 (AQP4) 抑制剂 IMD-0354 的膦酸盐前体（原药）形式（AER-270；使用各自的 CHO AQP4 转染体，hu/m/r IC50 = 420/390/210 nM），溶解度提高了 >5000倍。AER-271 在体内会迅速转化为 AER-270（血浆 AER-270 Cmax = 500 ng/mL 或 1.75 μM，10 mg AER-271/kg i.p. 后 20 分钟；C57BL/6 小鼠），并在心脏骤停或缺血性中风造成脑损伤的啮齿类动物模型中显示出疗效（小鼠 5-10 mg/kg ip. & 0.08 mg/h sc. ；大鼠 1-10 mg/kg iv.）。

CAS号

634913-39-6

分子式

C15H9ClF6NO5P

分子量

463.65 g/mol

PubChem编号

10412080

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OP(=O)(O)O

IIUPAC Name

[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] dihydrogen phosphate

INCHI

1S/C15H9ClF6NO5P/c16-9-1-2-12(28-29(25,26)27)11(6-9)13(24)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6H,(H,23,24)(H2,25,26,27)

InChi Key

WSHXPHFIHYXZKC-UHFFFAOYSA-N

Smiles

C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OP(=O)(O)O

PubChem CID

10412080

MeSH Entry Terms

2-((3,5-Bis(trifluoromethyl) phenyl)carbamoyl)-4-chlorophenyl dihydrogen phosphate;AER-271

溶解性

DMSO : 125 mg/mL (269.60 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

462.981 Da

单同位素质量Monoisotopic Mass

462.981 Da

拓扑极表面积Topological Polar Surface Area

95.900 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

620

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.5

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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