esatenolol (BioDeep_00000749596)

代谢物信息卡片

Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)-

化学式: C14H22N2O3 (266.16303419999997)
中文名称: (S)-(-)-阿替洛尔
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
InChI: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1

描述信息

C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist

同义名列表

44 个代谢物同义名

esatenolol; Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)-; 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanamide; 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide; (−)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide; (S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide; 2-[4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide; 2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide; S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide; Esatenolol (JAN\INN); Prestwick1_000536; Prestwick0_000536; Prestwick2_000536; Prestwick3_000953; (S)-(−)-Atenolol; NCGC00015007-03; NCGC00015007-02; NCGC00016880-01; NCGC00024566-01; NCGC00024570-01; NCGC00093636-03; NCGC00015007-01; NCGC00016880-02; NCGC00024570-04; CAS-56715-13-0; CAS-93379-54-5; 330892_ALDRICH; Lopac0_000156; BSPBio_000946; BPBio1_001042; Lopac-A-7655; (-)-Atenolol; SPBio_002472; (S)-Atenolol; Lopac-A-142; Tocris-0393; Lopac-A-143; Tocris-0387; S-Atenolol; A143_SIGMA; 93379-54-5; EU-0100156; BB_SC-2098; D01471

数据库引用编号

6 个数据库交叉引用编号

ChEBI: CHEBI:31556
KEGGdrug: D01471
PubChem: 175540
DrugBank: DB13443
ChEMBL: CHEMBL343633
CAS: 93379-54-5

分类词条

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

33090 - 肉豆蔻: -

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

G N Sahana, N Sarala, T N Kumar, V Lakshmaiah. A comparative study of nebivolol and (S) atenolol on blood pressure and heart rate on essential hypertensive patients. Indian journal of pharmacology. 2010 Dec; 42(6):401-5. doi: 10.4103/0253-7613.71918. [PMID: 21189915]
T J van Steeg, V B Boralli, E H J Krekels, P Slijkerman, J Freijer, M Danhof, E C M de Lange. Influence of plasma protein binding on pharmacodynamics: Estimation of in vivo receptor affinities of beta blockers using a new mechanism-based PK-PD modelling approach. Journal of pharmaceutical sciences. 2009 Oct; 98(10):3816-28. doi: 10.1002/jps.21658. [PMID: 19117045]
Tamara J van Steeg, Jan Freijer, Meindert Danhof, Elizabeth C M de Lange. Mechanism-based pharmacodynamic modeling of S(-)-atenolol: estimation of in vivo affinity for the beta1-adrenoceptor with an agonist-antagonist interaction model. The Journal of pharmacology and experimental therapeutics. 2008 Mar; 324(3):1234-42. doi: 10.1124/jpet.107.131680. [PMID: 18162599]
Mohamed Mohmoud Hefnawy, Maha Abd-Alrahman Sultan, Mona Mohamed Al-Shehri. Enantioanalysis of bisoprolol in human plasma with a macrocyclic antibiotic HPLC chiral column using fluorescence detection and solid phase extraction. Chemical & pharmaceutical bulletin. 2007 Feb; 55(2):227-30. doi: 10.1248/cpb.55.227. [PMID: 17268093]
Michael Schlauch, Katrin Fulde, August W Frahm. Enantioselective determination of (R)- and (S)-sotalol in human plasma by on-line coupling of a restricted-access material precolumn to a cellobiohydrolase I-based chiral stationary phase. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2002 Aug; 775(2):197-207. doi: 10.1016/s1570-0232(02)00287-8. [PMID: 12113986]
L C da Cunha, F A Gondim, A A de Paola, I C Barros, S R Santos. An improved HPLC-fluorescence stereoselective method for analysis of (+)-S- and (-)-R-sotalol enantiomers in plasma sample. Bollettino chimico farmaceutico. 2001 Nov; 140(6):448-54. doi: NULL. [PMID: 11822237]