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ChemSpider 2D Image | Efonidipine | C34H38N3O7P

Efonidipine

  • Molecular FormulaC34H38N3O7P
  • Average mass631.655 Da
  • Monoisotopic mass631.244751 Da
  • ChemSpider ID106463

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(±)-Efonidipine
111011-76-8 [RN]
2-(N-Benzylanilino)ethyl (±)-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-5-phosphononicotinate Cyclic 2,2-Dimethyltrimethylene Ester
2-[Benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
2-[Benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
2-[Benzyl(phenyl)amino]ethyl-5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester [ACD/Index Name]
40ZTP2T37Q
5-(5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic Acid 2-[Phenyl(phenylmethyl)amino]ethyl Ester P-Oxide
5-(5,5-Diméthyl-2-oxydo-1,3,2-dioxaphosphinan-2-yl)-2,6-diméthyl-4-(3-nitrophényl)-1,4-dihydro-3-pyridinecarboxylate de 2-[benzyl(phényl)amino]éthyle [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6852 [DBID]
NZ 105 [DBID]
BF2E1WS195 [DBID]
NZ-105 [DBID]
SU36WA6VVX [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Calcium Channel inhibitor TargetMol T2323

    • Chemical Class:

      A carboxylic ester resulting from the formal condensation of the carboxy group of 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic ac id with the hydroxy group of 2-[benzyl(phenyl)amino]ethanol. ChEBI CHEBI:146221

    • Bio Activity:

      Calcium Channel MedChem Express HY-12502
      Calcium Channel TargetMol T2323
      Efonidipine(NZ-105) is a dual T-type and L-type calcium channel blocker (CCB). MedChem Express
      Efonidipine(NZ-105) is a dual T-type and L-type calcium channel blocker (CCB).; IC50 value: ; Target: calcium channel blocker; in vitro: Efonidipine and nifedipine, but not other examined CCBs, also increased the N(6), 2'-O-dibutyryladenosine 3',5'-cyclic monophosphate (dbcAMP)-induced StAR mRNA, which reflects the action of adrenocorticotropic hormone, and efonidipine and R(-)-efonidipine enhanced the dbcAMP-induced DHEA-S production in NCI-H295R adrenocortical carcinoma cells [1]. MedChem Express HY-12502
      Efonidipine(NZ-105) is a dual T-type and L-type calcium channel blocker (CCB).;IC50 value: ;Target: calcium channel blocker;In vitro: Efonidipine and nifedipine, but not other examined CCBs, also increased the N(6), 2'-O-dibutyryladenosine 3',5'-cyclic monophosphate (dbcAMP)-induced StAR mRNA, which reflects the action of adrenocorticotropic hormone, and efonidipine and R(-)-efonidipine enhanced the dbcAMP-induced DHEA-S production in NCI-H295R adrenocortical carcinoma cells [1]. I(Ca(T)) was blocked mainly by a tonic manner by nifedipine, by a use-dependent manner by mibefradil, and by a combination of both manners by efonidipine. IC50s of these Ca2+ channel antagonists to I(Ca(T)) and L-type Ca2+ channel current (I(Ca(L))) were 1.2 micromol/l and 0.14 nmol/l for nifedipine; 0.87 and 1.4 micromol/l for mibefradil, and 0.35 micromol/l and 1.8 nmol/l for efonidipine, respectively [4].;In vivo: Twenty hypertensive patients on chronic hemodialysis were given efonidipine 20-60 mg twic MedChem Express HY-12502
      Membrane Tranporter/Ion Channel MedChem Express HY-12502
      Membrane Tranporter/Ion Channel; MedChem Express HY-12502
      Membrane Transporter/Ion Channel TargetMol T2323

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 746.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.5±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25541.40
ACD/KOC (pH 5.5): 49142.45
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26548.20
ACD/KOC (pH 7.4): 51079.56
Polar Surface Area: 133 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 483.1±5.0 cm3

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