(S)-3-(3'-Chloro-[1,1'-biphenyl]-4-yl)-2-(((S)-1-ethoxy-1-oxopropan-2-yl)amino)propanoic acid
基本情報
- CAS
1308256-94-1- 標準SMILES
CCOC(=O)[C@H](C)N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O- InChIKey
PWYAUIUPDMSWJH-CODVNQPLNA-N- 分子式
- C20H22ClNO4
- 平均分子量
- 375.8 g/mol
名称と識別子
- 優先名称
- (S)-3-(3'-Chloro-[1,1'-biphenyl]-4-yl)-2-(((S)-1-ethoxy-1-oxopropan-2-yl)amino)propanoic acid
- IUPAC
- (2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid
- 英語名
- LHW090-A7
- 分子式
- C20H22ClNO4
- 分子量
- 375.85
名称と別名
1308256-94-1LHW090-A7(S)-3-(3'-Chloro-[1,1'-biphenyl]-4-yl)-2-(((S)-1-ethoxy-1-oxopropan-2-yl)amino)propanoic acidLHW090-a7 acidRUQ5JTB7HRUNII-RUQ5JTB7HR(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid(1,1'-Biphenyl)-4-propanoic acid, 3'-chloro-alpha-(((1S)-2-ethoxy-1-methyl-2-oxoethyl)amino)-, (alphaS)-(alphaS)-3'-Chloro-alpha-(((1S)-2-ethoxy-1-methyl-2-oxoethyl)amino)(1,1'-biphenyl)-4-propanoic acid[1,1'-Biphenyl]-4-propanoic acid, 3'-chloro-alpha-[[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino]-, (alphaS)-(2S)-3-[4-(3-chlorophenyl)phenyl]-2-{[(2S)-1-ethoxy-1-oxopropan-2-yl]amino}propanoic acidorb1220082
名称をさらに表示
CS-2208EOS-61103LHW090 A7,LHW-090-A7,LHW090A7(αS)-3'-Chloro-α-[[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino][1,1'-biphenyl]-4-propanoic acid(2S)-3-{3'-chloro-[1,1'-biphenyl]-4-yl}-2-{[(2S)-1-ethoxy-1-oxopropan-2-yl]amino}propanoic acid[1,1'-Biphenyl]-4-propanoic acid, 3'-chloro-α-[[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino]-, (αS)-Sodium (2S)-3-(3'-chloro-[1,1'-biphenyl]-4-yl)-2-{[(2S)-1-ethoxy-1-oxopropan-2-yl]amino}propanoate(alphaS)-3'-Chloro-alpha-[[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino][1,1'-biphenyl]-4-propanoic acid
orb1306961SCHEMBL1768180PWYAUIUPDMSWJH-UGSOOPFHSA-NLHW090-A7?EX-A2338AKOS025396464AC-35202BS-14960
データベース識別子
- CAS
1308256-94-1- PubChem CID
- 58280516
- UNII
- RUQ5JTB7HR
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 75.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 9
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 465
物理化学的性質
- 溶解性
- 5 mg/mlEthanol: · DMSO: 5 mg/mlEthanol: 1 mg/mlPBS (pH 7.2): 10 mg/ml
- InChI
- InChI=1/C20H22ClNO4/c1-3-26-20(25)13(2)22-18(19(23)24)11-14-7-9-15(10-8-14)16-5-4-6-17(21)12-16/h4-10,12-13,18,22H,3,11H2,1-2H3,(H,23,24)/t13-,18-/s3
- InChIKey
- PWYAUIUPDMSWJH-CODVNQPLNA-N
- SMILES
- C(O)(=O)[C@@H](N[C@@H](C)C(OCC)=O)CC1=CC=C(C2=CC=CC(Cl)=C2)C=C1 |&1:3,5,r|
化学と産業
応用分野
説明LHW090-A7 is a compound developed as an inhibitor of neutral endopeptidase (NEP), an enzyme responsible for the metabolic inactivation of enkephalins. Inhibitors of NEP have been shown to increase plasma levels of endogenous atrial natriuretic peptides and, as such, are expected to induce natriuretic and diuretic effects.
関連反応
9 件
化合物ノート
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