Felodipine - Moligand™, ≥98% , Activator of CFTR, CAS No.72509-76-3, Activator of CFTR

CAS: 72509-76-3 Cat. No.: F123274 Molecular Weight: 384.25 EC Number: 620-472-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

BPBio1_000678 | Felodipine (dl form) | FELODIPINE (EP MONOGRAPH) | FELODIPINE [MI] | Plendil;Renedil | Prevex | SMR000058204 | C18H19Cl2NO4 | Felodipine,(S) | Logimax | FELODIPINE (USP IMPURITY) | BIDD:GT0733 | Felodipine, solid | Modip | Opera_ID_1873 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

L-type calcium channel blocker

Specifications

Synonyms

BPBio1_000678 | Felodipine (dl form) | FELODIPINE (EP MONOGRAPH) | FELODIPINE [MI] | Plendil;Renedil | Prevex | SMR000058204 | C18H19Cl2NO4 | Felodipine, (S) | Logimax | FELODIPINE (USP IMPURITY) | BIDD:GT0733 | Felodipine, solid | Modip | Opera_ID_1873 |

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Selective L-type Ca 2+ channel blocker. Selective over N-, R-, P/Q- and T-type channels. Displays high vascular selectivity and shows antihypertensive effects in vivo. Orally active.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of CFTR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504750659
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750659
• Canonical Smiles: CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
• IUPAC Name: 5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• InChIKey: RZTAMFZIAATZDJ-UHFFFAOYSA-N
• INCHI: 1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
• Isomeric SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
• WGK Germany: 3
• RTECS: US7968700
• Alternate CAS: 86189-69-7
• Molecular Weight: 384.25
• Reaxy-Rn: 4331472
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4331472&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines
        • Level5 Dihydropyridines
          • Level6 Dihydropyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Dihydropyridines
• Direct Parent: Dihydropyridinecarboxylic acids and derivatives
• Alternative Parents: Dichlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Secondary amine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Amine - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
• External Descriptors: ethyl ester - dichlorobenzene - methyl ester - dihydropyridine

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)

CFTR Tclin Cystic fibrosis transmembrane conductance regulator (1 Activities)

Discover Target: CFTR

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

CYP2C9 Tchem Cytochrome P450 2C9 (0 Activities)

Discover Target: CYP2C9

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

Chemical and Physical Properties

• Solubility: DMSO: soluble28 mg/mL H2O: insoluble
• Sensitivity: Air sensitive
• Melt Point(°C): 142.0°C-146.0°C
• Molecular Weight: 384.200 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 383.069 Da
• Monoisotopic Mass: 383.069 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 614.000
• 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

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. Yin Xuezhi, Pan Hao, Liu Hongfei.  (2019)  A Novel Micron-Size Particulate Formulation of Felodipine with Improved Release and Enhanced Oral Bioavailability Fabricated by Coaxial Electrospray.  AAPS PHARMSCITECH,  20  (7): (1-8).  [PMID:31407104] [10.1208/s12249-019-1495-8]