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Efonidipine - 10mM in DMSO, high purity , CAS No.111011-63-3, Channel blocker of Ca v3.2

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Item Number
E420611
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E420611-1ml
1ml
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$300.90

Calcium Channel Inhibitors

Basic Description

Synonyms Efonidipine | 111011-63-3 | Efonidipine [INN] | 40ZTP2T37Q | DTXSID9043988 | Efonidipine (INN) | NCGC00182046-01 | NZ-105 | 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
Specifications & Purity Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms Efonidipine (NZ-105) is an L- and T-type calcium channel blocker leading to vasodilation and decreased automaticity of the heart. It also suppresses aldosterone secretion from the adrenal.
Storage Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type CHANNEL BLOCKER
Mechanism of action Channel blocker of Ca v3.2
Product Description

Information

Efonidipine Efonidipine (NZ-105) is an L- and T-type calcium channel blocker leading to vasodilation and decreased automaticity of the heart. It also suppresses aldosterone secretion from the adrenal.

Targets

T-type calcium channel

In vitro

Although efonidipine is not a specific T-type calcium channe (TTCC) blocker as it could also block L-type calcium channe (LTCC), its efficacy in blocking TTCC is much greater than that of LTCC. Efonidipine exerts an inhibitory effect on aldosterone synthesis and secretion in a human adrenocortical cell line (H295R), an effect that is mediated, at least in part, by suppression of 11-β-hydroxylase and aldosterone synthase expression. Efonidipine also suppresses both Ang II- and K+-induced aldosterone secretion, but it blocks the latter at much lower concentrations than the former.

In vivo

Efonidipine could provide broader beneficial effects including the heart, liver, and plasma, and antioxidant in iron-overload condition in both WT(muβ+⁄+) and HT(muβth-3 ⁄+,) mice.

Cell Research(from reference)

Cell lines:The NCI-H295R human adrenocortical cell line (H295) 

Concentrations:0.3 μM and 3 μM 

Incubation Time:24 h 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Phenylmethylamines
Intermediate Tree Nodes Not available
Direct Parent Phenylbenzamines
Alternative Parents Dihydropyridinecarboxylic acids and derivatives  Nitrobenzenes  Aniline and substituted anilines  Benzylamines  Dialkylarylamines  Nitroaromatic compounds  Phosphonic acid diesters  Aralkylamines  Phosphonic acid esters  Vinylogous amides  Enoate esters  Amino acids and derivatives  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Azacyclic compounds  Dialkylamines  Organic oxoazanium compounds  Enamines  Monocarboxylic acids and derivatives  Organic zwitterions  Organophosphorus compounds  Carbonyl compounds  Organic oxides  Hydrocarbon derivatives  Organopnictogen compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Phenylbenzamine - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Benzylamine - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Dihydropyridine - Phosphonic acid diester - Aralkylamine - Hydropyridine - Phosphonic acid ester - Organophosphonic acid derivative - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - C-nitro compound - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Secondary aliphatic amine - Oxacycle - Organic oxoazanium - Enamine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic zwitterion - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors Not available

Product Properties

ALogP 4.956
hba_count 4
HBD Count 1
Rotatable Bond 11

Associated Targets(Human)

CACNA1H Tclin Voltage-dependent T-type calcium channel subunit alpha-1H (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
INCHI InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3
InChIKey NSVFSAJIGAJDMR-UHFFFAOYSA-N
Smiles CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
Isomeric SMILES CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
Molecular Weight 631.66
Reaxy-Rn 5903282
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5903282&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility 100
DMSO(mM) Max Solubility 158.3130165
Molecular Weight 631.700 g/mol
XLogP3 5.900
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 10
Exact Mass 631.245 Da
Monoisotopic Mass 631.245 Da
Topological Polar Surface Area 123.000 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1170.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

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