基本情報
- CAS
124750-92-1- 標準SMILES
CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1- InChIKey
ZEUXAIYYDDCIRX-UHFFFAOYSA-N- 分子式
- C22H21ClN6O2
- 平均分子量
- 436.9 g/mol
- 単同位体質量
- 436.1414516
概要
Losartan carboxylic acid is a biphenylyltetrazole that is losartan with the hydroxymethyl group at position 5 on the imidazole ring replaced with a carboxylic acid. It has a role as a metabolite. It is a member of imidazoles, an organochlorine compound and a biphenylyltetrazole. It is functionally related to a losartan.
名称と識別子
- 優先名称
- Losartan carboxylic acid
- IUPAC
- 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
- 現地名
- 2-ブチル-3-[[2'-(2H-テトラゾール-5-イル)-1,1'-ビフェニル-4-イル]メチル]-5-クロロ-3H-イミダゾール-4-カルボン酸
- 英語名
- Losartan carboxylic acid
- 分子式
- C22H21ClN6O2
- 分子量
- 436.89
名称と別名
Losartan carboxylic acid124750-92-1EXP-3174EXP 3174Exp3174E-3174GD76OCH73X2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acidCHEBI:741251H-Imidazole-5-carboxylic acid, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-DTXSID801544741H-imidazole-5-carboxylic acid, 2-butyl-4-chloro-1-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
名称をさらに表示
4-クロロ-2-ブチル-1-[4-[2-(1H-テトラゾール-5-イル)フェニル]ベンジル]-1H-イミダゾール-5-カルボン酸2-ブチル-3-[[2'-(2H-テトラゾール-5-イル)-1,1'-ビフェニル-4-イル]メチル]-5-クロロ-3H-イミダゾール-4-カルボン酸2-ブチル-4-クロロ-1-[[2'-(1H-テトラゾール-5-イル)ビフェニル-4-イル]メチル]-1H-イミダゾール-5-カルボン酸ロサルタンカルボン酸2-ブチル-3-[[2′-(2H-テトラゾール-5-イル)-1,1′-ビフェニル-4-イル]メチル]-5-クロロ-3H-イミダゾール-4-カルボン酸2-ブチル-4-クロロ-1-[(2′-(1H-テトラゾール-5-イル)-1,1′-ビフェニル-4-イル)メチル]-1H-イミダゾール-5-カルボン酸2-ブチル-4-クロロ-1-{[2'-(1H-1,2,3,4-テトラゾール-5-イル)-[1,1'-ビフェニル]-4-イル]メチル}-1H-イミダゾール-5-カルボン酸2-ブチル-4-クロロ-1-[[2′-(1H-テトラゾール-5-イル)ビフェニル-4-イル]メチル]-1H-イミダゾール-5-カルボン酸
物性
構造計算による物性
- XLogP
- 5
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 8
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 590
実験および物理化学的性質
DrugsPharmaceuticals -> Metabolite of Losartan
Collision Cross Section205.08 Ų [M-H]-
物理化学的性質
- 融点
- 130 · 130-132°C
- 沸点
- 707.8 · 707.8±70.0 °C(Predicted)
- 比重(密度)
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 溶解性
- ジメチルホルムアミド、ジメチルスルホキシド、メタノール
- 外見
- 個体
- 酸解離定数(Pka)
- 0.79 · 0.79±0.50(Predicted)
- 色
- 薄黄色
- InChIKey
- ZEUXAIYYDDCIRX-UHFFFAOYSA-N
- SMILES
- C1(CCCC)N(CC2=CC=C(C3=CC=CC=C3C3=NNN=N3)C=C2)C(C(O)=O)=C(Cl)N=1
化学的性質
化学的特性Light-Yellow Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P260, P261, P263, P264, P270, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesSkin Sens. 1B (100%)
安全データ
- wgk
- WGK 3
- hs_code
- 29339900
- safety_code
- 24/25
- Hazard Classifications
- Lact.Repr. 1BSkin Sens. 1B
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
Metabolism/MetabolitesLosartan carboxylic acid is a known human metabolite of losartan carboxaldehyde and losartan.
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Tissue LocationsKidney
Cellular LocationsCytoplasm
応用分野
説明Losartan carboxylic acid is a physiologically active metabolite of losartan , produced by cytochrome P450 isoforms in the liver. Like the parent compound, losartan carboxylic acid is a potent AT1 antagonist (Kis = 0.57 and 0.67 nM for rat and human forms, respectively), producing a depressor response and vasodilatation. When administered intravenously, losartan carboxylic acid is more potent and has a longer duration of action than losartan. However, the metabolite has very low oral bioavailability. Losartan, but not its metabolite, inhibits platelet aggregation in vitro.
使用Losartan carboxylic acid is used as a metabolite of Losartan.
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