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

CAS: 64887-14-5 Cat. No.: U129697 Fórmula: C₂₀H₂₉N₅O₃ · HCl Peso molecular: 423.94 Número CE: 636-348-0 PubChem CID: 167980

GRAU & PUREZA ≥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

Visão geral

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.

Especificações

Sinónimos

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504757614

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

RTECS

YQ9862000

PubChem CID

167980

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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BLM Tchem Bloom syndrome protein (4248 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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nfo Endonuclease 4 (425 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: 21.2, Max Conc. mM: 50
• Peso molecular: 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