Lacidipine - Moligand™, ≥98% , CAS No.103890-78-4

CAS: 103890-78-4 Cat. No.: L129522 Molecular Weight: 455.54 EC Number: 638-759-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-[O-[(E)-2-Carboxyvinyl]phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid, 4-tert-butyl diethyl ester | LACIDIPINE [USAN] | MLS000759454 | AB01275445-01 | CCG-101153 | GR43659X | GR-43659X | D04657 | diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Lacidipine is a L-type calcium channel blocker.
A calcium channel protein inhibitor and blocker.

Specifications

Synonyms

4-[O-[(E)-2-Carboxyvinyl]phenyl]-1, 4-dihydro-2, 6-dimethyl-3, 5-pyridinedicarboxylic acid, 4-tert-butyl diethyl ester | LACIDIPINE [USAN] | MLS000759454 | AB01275445-01 | CCG-101153 | GR43659X | GR-43659X | D04657 | diethyl 2, 6-dimethyl-4-[2-[(E)-3-[(2-meth

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Lacidipine is a long-acting calcium antagonist that is used in the management of hypertension. Lacidipine is a L-type Ca(2+) channel blocker belonging to 1, 4-dihydropyridine class. Also, Lacidipine inhibits ryanodine receptors on the ER membrane that enha

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763543
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763543
• Canonical Smiles: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C
• IUPAC Name: diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
• InChIKey: GKQPCPXONLDCMU-CCEZHUSRSA-N
• INCHI: 1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+
• Isomeric SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C
• WGK Germany: 3
• Molecular Weight: 455.54
• Reaxy-Rn: 7395367
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7395367&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Tricarboxylic acids and derivatives Dihydropyridinecarboxylic acids and derivatives Styrenes Fatty acid esters Vinylogous amides Enoate esters Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid ester - Dihydropyridinecarboxylic acid derivative - Tricarboxylic acid or derivatives - Styrene - Dihydropyridine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Hydropyridine - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Azacycle - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)

Discover Target: CYP3A4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Soluble in Chloroform
• Sensitivity: Heat sensitive
• Melt Point(°C): 179 °C
• Molecular Weight: 455.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 455.231 Da
• Monoisotopic Mass: 455.231 Da
• Topological Polar Surface Area: 90.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 805.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Qinglin Wang, Hao Yuan, Xinyue Pan, Yiling Yang, Xiaosong Ma, Yahui Guo.  (2023)  Synthesis of silver nanoclusters using a double-stranded DNA template and its application for captopril detection.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105825]

2. Y. Huang, P. Sun, Z. Zhang, C. Jin.  (2017)  Numerical method based on transfer function for eliminating water vapor noise from terahertz spectra.  APPLIED OPTICS,  56  (20): (5698-5704).  [PMID:29047713] [10.1364/AO.56.005698]