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Product details

名称

AZD8797

分子类型

小分子

别名

(R)-2-((2-氨基-5-(((S)-1-苯乙基)硫基)噻唑并[4,5-d]嘧啶-7-基)氨基)-4-甲基戊-1-醇

英文别名

(R)-2-((2-Amino-5-(((S)-1-phenylethyl)thio)thiazolo[4,5-d]pyrimidin-7-yl)amino)-4-methylpentan-1-ol | (2R)-2-[[2-amino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methyl-1-pentanol | AZD 8797 | KAND567 | KAN-0440567

英文名称

AZD8797

货号

A649378-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存,充氩

运输条件

超低温冰袋运输

产品介绍

AZD8797 (KAND567) 是一种可口服且具有选择性和有效性的人 CX3CR1 变构拮抗剂，对 CX3CR1 和 CXCR2 具有抑制作用，对SARS-CoV-2诱导的神经元损伤有潜在的保护作用，可防止癫痫发作后偏头痛模型大鼠痛觉过敏和小胶质细胞活化的恶化。 AZD8797 (KAND567) is an orally available, selective and potent human CX3CR1-converting antagonist with inhibitory effects on CX3CR1 and CXCR2, and potentially protects against SARS-CoV-2-induced neuronal damage, preventing worsening of nociceptive sensitization and microglial activation in a migraine model of rats following seizures.

生化机理

AZD8797 (KAND567) 是人 CX3CR1 受体的异构非竞争性口服活性拮抗剂；可拮抗 CX3CR1 和 CXCR2，其 K i s 分别为 3.9 和 2800 nM。

CAS号

911715-90-7

分子式

C19H25N5OS2

分子量

403.56 g/mol

PubChem编号

11965767

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)SC2=NC3=C(C(=N2)N[C@H](CC(C)C)CO)SC(=N3)N

IIUPAC Name

(2R)-2-[[2-amino-5-[(1S)-1-phenylethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol

INCHI

1S/C19H25N5OS2/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t12-,14+/m0/s1

InChi Key

ZMQSLMZOWVGBSM-GXTWGEPZSA-N

Smiles

CC(C)CC(CO)NC1=NC(=NC2=C1SC(=N2)N)SC(C)C3=CC=CC=C3

PubChem CID

11965767

溶解性

DMSO : ≥ 150 mg/mL (371.69 mM)

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

403.15 Da

单同位素质量Monoisotopic Mass

403.15 Da

拓扑极表面积Topological Polar Surface Area

150.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

452

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.8

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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