A2861
阿司咪唑
≥98% (HPLC), hERG potassium channel blocker, powder
别名:
1-（4-氟苄基）-2-（1-[4-甲氧基苯乙基] 哌啶-4-基）氨基苯并咪唑
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选择尺寸
关于此项目
经验公式（希尔记法）:
C28H31FN4O
化学文摘社编号:
分子量:
458.57
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
41121800
EC Number:
272-441-9
MDL number:
产品名称
阿司咪唑, ≥98% (HPLC)
InChI
1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
InChI key
GXDALQBWZGODGZ-UHFFFAOYSA-N
SMILES string
COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1
assay
≥98% (HPLC)
form
powder
storage condition
desiccated
protect from light
solubility
DMSO: >20 mg/mL
originator
Johnson & Johnson
storage temp.
2-8°C
Quality Level
Gene Information
human ... HRH1(3269)
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相关类别
Biochem/physiol Actions
阿司咪唑是一种强效 hERG 钾通道阻断剂（IC 50 为 0.9 nM），可用作药理学分子伴侣，以纠正折叠缺陷并恢复一些 hERG 通道突变形式的蛋白功能。它还被研究用于治疗疟疾、癌症中的 hERG 和 hEAG 通道功能以及作为第二代抗组胺药 H-1 拮抗剂。
阿司咪唑是一种强效 hERG 钾通道阻滞剂（IC 50 为 0.9 nM）。
Features and Benefits
该化合物由 Johnson & Johnson 开发。如需浏览其他制药公司开发的化合物和批准的药物/候选药物列表，请点击此处。
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Chitalu C Musonda et al.
Bioorganic & medicinal chemistry letters, 19(2), 481-484 (2008-12-05)
A dual activity, conjugated approach has been taken to form hybrid molecules of two known antimalarial drugs, chloroquine (CQ) and the non-sedating H1 antagonist astemizole. A variety of linkers were investigated to conjugate the two agents into one molecule. Compounds
Tjøstil Vlaar et al.
Angewandte Chemie (International ed. in English), 51(52), 13058-13061 (2012-11-20)
O(2) in, H(2)O out: Various diamines and related bisnucleophiles readily undergo oxidative isocyanide insertion with Pd(OAc)(2) (1 mol %) as the catalyst and O(2) as the terminal oxidant to give a diverse array of medicinally relevant N heterocycles. The utility
Astemizole. A nonsedating antihistamine with fast and sustained activity.
M M Janssens
Clinical reviews in allergy, 11(1), 35-63 (1993-01-01)
M F Nilsson et al.
Reproductive toxicology (Elmsford, N.Y.), 29(2), 156-163 (2010-02-11)
Drugs blocking the potassium current IKr of the heart (via hERG channel-inhibition) have the potential to cause hypoxia-related teratogenic effects. However, this activity may be missed in conventional teratology studies because repeat dosing may cause resorptions. The aim of the
Andrew M Sawayama et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 15(43), 11723-11729 (2009-09-24)
Herein we demonstrate that a small panel of variants of cytochrome P450 BM3 from Bacillus megaterium covers the breadth of reactivity of human P450s by producing 12 of 13 mammalian metabolites for two marketed drugs, verapamil and astemizole, and one
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