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Enalaprilat Dihydrate structure, CAS 84680-54-6

Enalaprilat Dihydrate

CAS Number84680-54-6

SynonymsMFCD00941393; ENALAPRILAT DIHYDRATE; 2-[N-(1-Carboxy-3-phenylpropyl)alanyl]-1-pyrrolidinecarboxylic acid dihydrate; EINECS 278-459-3; 1-Pyrrolidinecarboxylic acid, 2-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]-, hydrate (1:2)

Molecular FormulaC18H28N2O7

Molecular Weight384.42

Purity

Density

Boiling Point563.5ºC at 760 mmHg

Melting Point211-215°C

Flash Point

AppearanceWhite-very light yellow crystal-powder

EINECS

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-9059961 Purity:
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Quality Control of [ 84680-54-6 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number84680-54-6
Catalog No.2A-9059961
Chinese Name依那普利那二水
SynonymsMFCD00941393; ENALAPRILAT DIHYDRATE; 2-[N-(1-Carboxy-3-phenylpropyl)alanyl]-1-pyrrolidinecarboxylic acid dihydrate; EINECS 278-459-3; 1-Pyrrolidinecarboxylic acid, 2-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]-, hydrate (1:2)
Molecular FormulaC18H28N2O7
Molecular Weight384.42
Boiling Point563.5ºC at 760 mmHg
Melting Point211-215°C
AppearanceWhite-very light yellow crystal-powder
Storage Condition-20°C Freezer
ApplicationEnalaprilat is an angiotensin-converting enzyme (ACE) inhibitor with an IC50 of 1.94 nM.
PubChem ID329749718
MDL NumberMFCD00941393
SMILESO.O.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O
InChI1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2/t12-,14-,15-;;/m0../s1
InChI KeyMZYVOFLIPYDBGD-MLZQUWKJSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbolstransportation
MSDSmsds/59961_1_84680_54_6.pdf
BioactivityEnalaprilat is an angiotensin-converting enzyme (ACE) inhibitor with IC50 of 1.94 nM.Target: ACEEnalaprilat has high affinity for human endothelial ACE with IC50 of 1.94 nM in vitro binding assay by displacing a saturating concentration of [125I]351A, a radiolabeled lisinopril analogue from ACE binding sites, and shows bradykinin/angiotensin I selectivity ratio of 1.00 calculated from double displacement experiments [1]. Enalaprilat attenuates the IGF-I induced neonatal rat cardiac fibroblast growth (30% reduction) in a concentration-dependent fashion, with IC50 of 90 mM [2].Administration of Enalaprilat induces a significant reduction of MAP at 70 minutes compared with the placebo group during haemorrhagic shock in rats, and results in a 50% reduction of CO, a general tendency of EB extravasation which is significant in the kidney and lungs, and a significant increase in ileal EB extravasation (53%) [3]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Angiotensin-converting Enzyme (ACE) Signaling Pathways >> Autophagy >> Autophagy Research Areas >> Cardiovascular Disease References [1]. Ceconi, C., et al., Angiotensin-converting enzyme (ACE) inhibitors have different selectivity for bradykinin binding sites of human somatic ACE. Eur J Pharmacol, 2007. 577(1-3): p. 1-6. [2]. van Eickels, M., H. Vetter, and C. Grohe, Angiotensin-converting enzyme (ACE) inhibition attenuates insulin-like growth factor-I (IGF-I) induced cardiac fibroblast proliferation. Br J Pharmacol, 2000. 131(8): p. 1592-6. [3]. Schumacher, J., et al., Effects of candesartan and enalaprilat on the organ-specific microvascular permeability during haemorrhagic shock in rats. Br J Anaesth, 2006. 96(4): p. 437-43. Chemical & Physical Properties Boiling Point 563.5ºC at 760 mmHg Melting Point 211-215°C Molecular Formula C18H28N2O7 Molecular Weight 384.424 Flash Point 294.6ºC Exact Mass 384.189636 PSA 125.40000 LogP 1.32630 Index of Refraction 1.579 InChIKey MZYVOFLIPYDBGD-MLZQUWKJSA-N SMILES CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O.O.O Storage condition -20°C Freezer
Use ofProperties Name enalaprilat dihydrate Synonym More Synonyms Enalaprilat Dihydrate Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Angiotensin-converting Enzyme (ACE) Signaling Pathways >> Autophagy >> Autophagy Research Areas >> Cardiovascular Disease References [1]. Ceconi, C., et al., Angiotensin-converting enzyme (ACE) inhibitors have different selectivity for bradykinin binding sites of human somatic ACE. Eur J Pharmacol, 2007. 577(1-3): p. 1-6. [2]. van Eickels, M., H. Vetter, and C. Grohe, Angiotensin-converting enzyme (ACE) inhibition attenuates insulin-like growth factor-I (IGF-I) induced cardiac fibroblast proliferation. Br J Pharmacol, 2000. 131(8): p. 1592-6. [3]. Schumacher, J., et al., Effects of candesartan and enalaprilat on the organ-specific microvascular permeability during haemorrhagic shock in rats. Br J Anaesth, 2006. 96(4): p. 437-43. Chemical & Physical Properties Molecular Formula C18H28N2O7 Exact Mass 384.189636 PSA 125.40000 LogP 1.32630 Index of Refraction 1.579 InChIKey MZYVOFLIPYDBGD-MLZQUWKJSA-N
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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