Urapidil HCl - ≥98% , CAS No.64887-14-5

CAS: 64887-14-5 Cat. No.: U129697 Formule: C₂₀H₂₉N₅O₃ · HCl Poids moléculaire: 423.94 Numéro CE: 636-348-0 PubChem CID: 167980

QUALITÉ & PURETÉ ≥98%

Synonyms

6[[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil hydrochloride | SW197244-4 | 6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione hydrochloride | PVU92PZO12 | 6-((3-(4-(2-methoxyphenyl)pip

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Urapidil HCl is a hydrochloride salt form of urapidil which is α1-adrenoceptor antagonist and 5-HT1A receptor agonist with pIC50 of 6.13 and 6.4 respectively.
An adrenergic α1-AR antagonist and a serotonin 5-HT1A (SR-1A) receptor agonist.

Spécifications

Synonymes

6[[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil hydrochloride | SW197244-4 | 6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione hydrochloride | PVU92PZO12 | 6-((3-(4-(2-methoxyphenyl)pip

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

α1-adrenoceptor antagonist and 5-HT1Areceptor agonist (pIC50values are 6.13 and 6.4 respectively). Clinically used hypotensive agent.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Type d'action

ANTAGONIST

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504757614

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757614

Sourires canoniques

CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl

IUPAC Name

6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

InChIKey

KTMLZVUAXJERAT-UHFFFAOYSA-N

INCHI

1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H

Isomères SMILES

CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl

WGK Allemagne

3

RTECS

YQ9862000

PubChem CID

167980

Poids moléculaire

423.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Aminophenyl ethers Methoxyanilines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds N-alkylpiperazines Aminopyrimidines and derivatives Alkyl aryl ethers Pyrimidones Secondary alkylarylamines Hydropyrimidines Heteroaromatic compounds Vinylogous amides Trialkylamines Ureas Lactams Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Methoxyaniline - Aminophenyl ether - Dialkylarylamine - Phenoxy compound - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Methoxybenzene - Phenol ether - Anisole - Pyrimidone - Aminopyrimidine - Secondary aliphatic/aromatic amine - N-alkylpiperazine - Alkyl aryl ether - Pyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Secondary amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: 21.2, Max Conc. mM: 50
• Poids moléculaire: 423.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 423.204 Da
• Monoisotopic Mass: 423.204 Da
• Topological Polar Surface Area: 68.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 588.000
• 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: 2

XLogP3