Atreleuton

HCID 3086671

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基本情報

CAS: 154355-75-6
標準SMILES: C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
InChIKey: MMSNEKOTSJRTRI-LLVKDONJSA-N
分子式: C16H15FN2O2S
平均分子量: 318.4 g/mol
単同位体質量: 318.08382694

概要

Atreleuton has been used in trials studying the treatment of Atherosclerosis and Coronary Artery Disease.

名称と識別子

優先名称: Atreleuton
IUPAC: 1-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
英語名: ATRELEUTON
分子式: C16H15FN2O2S
分子量: 318.37

名称と別名

Atreleuton154355-76-7Abbott-85761VIA-2291VIA2291U301T88E1M1-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyureaA-85761.0A-85761DTXSID10165598atreleutonum1-((2R)-4-(5-((4-fluorophenyl)methyl)thiophen-2-yl)but-3-yn-2-yl)-1-hydroxyurea

名称をさらに表示

COX/5-LO-IN-1Atreleuton analogCOX/5LOIN1,COX/5 LO IN 1Urea, N-[3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-

RefChem:560332DTXCID1088089N-(3-(5-((4-fluorophenyl)methyl)-2-thienyl)-1-methyl-2-propynyl)-N-hydroxyurea((R)-3-(5-(p-Fluorobenzyl)-2-thienyl)-1-methyl-2-propynyl)-1-hydroxyureaABT-761ABT 761Atreleuton [USAN:INN]VIA 2291

データベース識別子

CAS: 154355-75-6、154355-76-7
PubChem CID: 3086671
DTXSID: DTXSID10165598
ChEMBL: CHEMBL59356
UNII: U301T88E1M
EC Number: 604-947-6
Nikkaji: J710.520G

物性

構造計算による物性

XLogP: 2.7
極性表面積: 94.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 454

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

沸点: 506.7 · 506.7±60.0 °C(Predicted)
比重(密度): 1.37 · 1.37±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: Soluble in DMSO
酸解離定数(Pka): 9.63 · 9.63±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

化学と産業

薬理情報

MeSH Pharmacological ClassificationCompounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.

応用分野

使用Anti-asthmatic; inhibitor (5-lipoxygenase).

サプライヤー14 社

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]

天津普西唐生物医药科技有限公司010-60605840 · [email protected]

化合物ノート

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