C5a Receptor Antagonist, W-54011
基本情報
- CAS
405098-33-1- 標準SMILES
COc1ccc2c(c1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2.Cl- InChIKey
UKBJWRMNGCDKNL-UHFFFAOYSA-N- 分子式
- C30H37ClN2O2
- 平均分子量
- 493.1 g/mol
- 単同位体質量
- 492.2543561
概要
W54011 is potent, specific and orally active C5a receptor antagonist. It has a role as a C5a receptor antagonist and an anti-inflammatory agent.
名称と識別子
- 優先名称
- C5a Receptor Antagonist, W-54011
- IUPAC
- N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
- 英語名
- N-[[4-(Dimethylamino)phenyl]methyl]-1,2,3,4-tetrahydro-7-methoxy-N-[4-(1-methylethyl)phenyl]-1-naphthalenecarboxamide hydrochloride
- 分子式
- C30H36N2O2.ClH
- 分子量
- 493.08
名称と別名
405098-33-1C5a Receptor Antagonist, W-54011DTXSID50415509RefChem:331520DTXCID40366359N-[[4-(DIMETHYLAMINO)PHENYL]METHYL]-1,2,3,4-TETRAHYDRO-7-METHOXY-N-[4-(1-METHYLETHYL)PHENYL]-1-NAPHTHALENECARBOXAMIDE HYDROCHLORIDEMFCD26142284N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamideN-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochlorideN-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide hydrochlorideN-(4-(Dimethylamino)benzyl)-N-(4-isopropylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxamide hydrochlorideorb1307610
名称をさらに表示
W-54011CS-2062W-54011, 10 mM in DMSON-{[4-(diMethylaMino)phenyl]Methyl}-7-Methoxy-N-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxaMide hydrochloridechemotaxis,inhibit,orally,W-54011,mobilization,anaphylatoxin,ROS,Reactive Oxygen Species,Ca2+,C5a,neutrophils,Inhibitor,Complement System,W54011,inflammatory,W 54011
物性
構造計算による物性
- 極性表面積
- 32.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 634
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 30 mg/mL; · DMF: 30 mg/mL; DMSO: 30 mg/mL; Ethanol: 3 mg/mL
- 外見
- 白色粉末固体。
- 色
- White to light yellow
- 安定性
- Hygroscopic
化学と産業
応用分野
説明W-54011 is an orally bioavailable, nonpeptide antagonist of complement component 5a receptor 1 (C5aR), also known as cluster of differentiation 88 (CD88). W-54011 inhibits 125I-rhC5a binding in neutrophils (Ki = 2.2 nM) and C5a-mediated intracellular Ca2+ mobilization (IC50 = 3.1 nM). W-54011 is selective and does not affect Ca2+ mobilization mediated by other G protein-coupled receptor (GPCR) ligands, N-Formyl-Met-Leu-Phe (fMLF; ), or IL-8 up to a concentration of 10 μM. It inhibits Ca2+ mobilization in neutrophils in humans, cynomolgus monkeys, and gerbils, but not in mice, rats, guinea pigs, rabbits, or dogs. At 10 nM, W-54011 also inhibits C5a-mediated migration and vessel formation of human microvascular endothelial cells (HMEC-1).
使用W 54011 is a potent orally active non-peptide C5a receptor antagonist.
関連反応
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化合物ノート
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