Amlodipine - Moligand™, ≥98% , Gating inhibitor of Ca v1.2;Gating inhibitor of Ca v1.3;Allosteric modulator of P2X4, CAS No.88150-42-9, Gating inhibitor of Ca v1.2;Gating inhibitor of Ca v1.3;Allosteric modulator of P2X4

CAS: 88150-42-9 Cat. No.: A123260 Formula: C₂₀H₂₅ClN₂O₅ Peso molecolare: 408.88 Numero EC: 618-119-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

88150-42-9 (free base) | 3-Ethyl-5-methyl (+-)-2-((2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate | AMLODIPINE (MART.) | BDBM50088383 | NCGC00165957-02 | Norvasc (TN) | 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-3-e

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

A dihydropyridine calcium channel blocker; activity resides mainly in the (-)-isomer.

Specifications

Sinonimi

88150-42-9 (free base) | 3-Ethyl-5-methyl (+-)-2-((2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate | AMLODIPINE (MART.) | BDBM50088383 | NCGC00165957-02 | Norvasc (TN) | 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-3-e

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Potent, long-acting L-type calcium channel blocker (IC 50 =1.9 nM). Also stimulates nitric oxide synthase (NOS), lowers blood pressure and has antioxidant properties.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ALLOSTERIC MODULATOR, GATING INHIBITOR

Meccanismo d'azione

Gating inhibitor of Ca v1.2;Gating inhibitor of Ca v1.3;Allosteric modulator of P2X4

Nota

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.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488179669

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179669

Sorrisi canonici

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

IUPAC Name

3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

InChIKey

HTIQEAQVCYTUBX-UHFFFAOYSA-N

INCHI

1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3

Isomeri SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

Peso molecolare

408.88

Reaxy-Rn

3570229

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3570229&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Dihydropyridines
• Direct Parent: Dihydropyridinecarboxylic acids and derivatives
• Alternative Parents: Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Azacyclic compounds Dialkyl ethers Dialkylamines Enamines Organochlorides Organic oxides Organopnictogen compounds Monoalkylamines Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - 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 - Dialkyl ether - Secondary aliphatic amine - Azacycle - Enamine - Ether - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Amine - Primary amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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 - primary amino compound - methyl ester - monochlorobenzenes - 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

Obiettivi associati (umani)

CACNA1C Tclin Voltage-dependent L-type calcium channel subunit alpha-1C (2 Activities)

Discover Target: CACNA1C

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

CACNA1D Tclin Voltage-dependent L-type calcium channel subunit alpha-1D (1 Activities)

Discover Target: CACNA1D

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

KCNK2 Tclin Potassium channel subfamily K member 2 (1 Activities)

Discover Target: KCNK2

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

P2RX4 Tchem P2X purinoceptor 4 (0 Activities)

Discover Target: P2RX4

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in dimethyl sulfoxide, ethanol, water, dimethyl formamide, acetone, chloroform, ethyl acetate and methanol.Water solubility:75.3 mg/L
• Punto di fusione (°C): 178-179 ºC
• Peso molecolare: 408.900 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 408.145 Da
• Monoisotopic Mass: 408.145 Da
• Topological Polar Surface Area: 99.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 647.000
• 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