Nicardipine - Moligand™, 10mM in DMSO , Antagonist of A 3 receptor;Channel blocker of K v1.4, CAS No.55985-32-5, Antagonist of A 3 receptor;Channel blocker of K v1.4

CAS: 55985-32-5 Cat. No.: N424751 Formule: C₂₆H₂₉N₃O₆ Poids moléculaire: 479.52 Numéro CE: 259-932-3

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Bio1_001066 | IDI1_000540 | KBio2_006988 | KBio3_002443 | Dagan | SCHEMBL34277 | YC-93 free base | CAS-55985-32-5 | CHEBI:7550 | YC-93 (free base) | Nicardipine (INN) | AKOS001637090 | Cardene (TN) | CZ5312222S | KBio3_000218 | NCGC00015747-04 | NCGC00015

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Nicardipine (YC-93 free base) is a calcium channel blocker with an IC50 of 1 μM for blocking cardiac calcium channels. Nicardipine acts as an agent for chronic stable angina and for controlling blood pressure

Specifications

Synonymes

Bio1_001066 | IDI1_000540 | KBio2_006988 | KBio3_002443 | Dagan | SCHEMBL34277 | YC-93 free base | CAS-55985-32-5 | CHEBI:7550 | YC-93 (free base) | Nicardipine (INN) | AKOS001637090 | Cardene (TN) | CZ5312222S | KBio3_000218 | NCGC00015747-04 | NCGC00015

Spécifications et pureté

Moligand™, 10mM in DMSO

Mécanismes biochimiques et physiologiques

Potent L-type Ca 2+ channel blocker. Alters cytochrome P-450 3A (CYP3A4) expression in rat livers. Elastase inhibitor (IC 50 = 16μM in humans and 18μM in rat). Active in vivo and in vitro.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST, CHANNEL BLOCKER

Mécanisme d'action

Antagonist of A 3 receptor;Channel blocker of K v1.4

Noms et identifiants

• Pubchem Sid: 528766384
• Sourires canoniques: CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
• IUPAC Name: 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• InChIKey: ZBBHBTPTTSWHBA-UHFFFAOYSA-N
• INCHI: 1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
• Isomères SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
• Poids moléculaire: 479.52
• Reaxy-Rn: 504321
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=504321&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: Nitrobenzenes Phenylmethylamines Benzylamines Nitroaromatic compounds Aralkylamines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Enamines Organopnictogen compounds Organic zwitterions Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - 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: 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

Cibles associées (humaines)

CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (2 Activities)

Discover Target: CYP3A4

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

CYP2C9 Tchem Cytochrome P450 2C9 (3 Activities)

Discover Target: CYP2C9

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

ABCB1 Tchem Multidrug resistance protein 1 (1 Activities)

Discover Target: ABCB1

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

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)

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

Discover Target: ADORA3

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

KCNA4 Tclin Potassium voltage-gated channel subfamily A member 4 (1 Activities)

Discover Target: KCNA4

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

Propriétés chimiques et physiques

• Poids moléculaire: 479.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 479.206 Da
• Monoisotopic Mass: 479.206 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 856.000
• 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

Références

1. Zheng Wang, Keizo Nakagawa, Kecheng Guan, Aiwen Zhang, Yasunao Okamoto, Atsushi Matsuoka, Eiji Kamio, Tomohisa Yoshioka, Hideto Matsuyama.  (2025)  Fe-O-Fe-bridged Porphyrin Network Membranes for Solvent-resistant Nanofiltration.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124485]

2. Dafa Yi, Jiazong Ye, Zebei Lu, Leilei Lu, Tengfei Qi, Tong Luo, Xiuyun Peng, Abdullah Al Mamun, Quan Zhou, Daqing Chen, Shuanghu Wang.  (2025)  Effects of anti-hypertensive drugs on the metabolism of mobocertinib in rats both in vitro and in vivo.  DRUG METABOLISM AND DISPOSITION,      [PMID:40482432] [10.1016/j.dmd.2025.100094]