Zoniporide hydrochloride hydrate - ≥99% , CAS No.863406-85-3

CAS: 863406-85-3 Cat. No.: Z649676 Peso molecular: 374.82 PubChem CID: 22267662

GRADE & PURITY ≥99%

Synonyms

5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrate;hydrochloride | 70297XU9ZO | MS-26069 | SCHEMBL6263279 | N-(Aminoiminomethyl)-5-cyclopropyl-1-(5-quinolinyl)-1H-pyrazole-4-carboxamide hydrochloride hydrate | HY-105064D |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Zoniporide (CP-597396) hydrochloride hydrate is a potent and selective inhibitor of sodium-hydrogen exchanger type 1 (NHE-1) . Zoniporide hydrochloride hydrate inhibits human NHE-1 ( IC 50 =14 nM), and has >150-fold selectivity versus other NHE isoforms. Zoniporide hydrochloride hydrate potently inhibits ex vivo NHE-1-dependent swelling of human platelets (IC 50 =59 nM)

In Vivo

Zoniporide hydrochloride hydrate (0.25-4 mg/kg; i.v.; every hour for 2 hours) elicits a dose-dependent reduction in infarct size (ED 50 =0.45 mg/kg/h) in open chest anesthetized rabbits . Zoniporide exhibits moderate plasma protein binding, has a t 1/2 of 1.5 hours in monkeys, and has one major active metabolite . Zoniporide hydrochloride hydrate treatment shows the AUC 0-∞ and t 1/2 are 0.07 μg h/mL and 0.5 hours, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Rabbit Dosage: 0.25, 1, 4 mg/kg Administration: Every hour for 2 hours; intravenous injection Result: Elicited a significant dose-dependent reduction in infarct size in the anesthetized rabbit. The ED 50 was 0.45 mg/kg/h. Animal Model: RatDosage: 1 mg/kg Administration: Intravenous injection(Pharmacokinetic Analysis) Result: The AUC 0-∞ and t 1/2 were 0.07 μg h/mL and 0.5 hours, respectively.

Form:Solid

IC50& Target:IC50: 14 nM (NHE-1)

Specifications

Sinónimos

5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrate;hydrochloride | 70297XU9ZO | MS-26069 | SCHEMBL6263279 | N-(Aminoiminomethyl)-5-cyclopropyl-1-(5-quinolinyl)-1H-pyrazole-4-carboxamide hydrochloride hydrate | HY-105064D |

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Zoniporide (CP-597396) hydrochloride hydrate is a potent and selective inhibitor of sodium-hydrogen exchanger type 1 (NHE-1) . Zoniporide hydrochloride hydrate inhibits human NHE-1 ( IC 50 =14 nM), and has >150-fold selectivity versus other NHE isoforms.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.O.Cl
• IUPAC Name: 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrate;hydrochloride
• InChIKey: UCIJUEGJEFJRMP-UHFFFAOYSA-N
• INCHI: 1S/C17H16N6O.ClH.H2O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);1H;1H2
• Isómeros SMILES: C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.O.Cl
• CAS alternativo: 863406-85-3
• PubChem CID: 22267662
• Términos de entrada MeSH: (1-(quinolin-5-yl)-5-cyclopropyl-1H-pyrazole-4-carbonyl)guanidine;(1-(quinolin-5-yl)-5-cyclopropyl-1H-pyrazole-4-carbonyl)guanidine hydrochloride monohydrate;CP 597,396;CP 597396;CP-597,396;CP-597396;zoniporide
• Peso molecular: 374.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyrazole-4-carboxamides Acylguanidines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Pyrazole-4-carboxamide - Acylguanidine - Pyridine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Guanidine - Carboxylic acid derivative - Azacycle - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Hydrochloride - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Propiedades químicas y físicas

• Solubilidad: H2O : 2 mg/mL (5.34 mM; Need ultrasonic and warming)
• Peso molecular: 374.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 374.126 Da
• Monoisotopic Mass: 374.126 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 515.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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