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

CAS: 64887-14-5 Cat. No.: U129697 Molecular Weight: 423.94 EC Number: 636-348-0 PubChem CID: 167980

GRADE & PURITY ≥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

Overview

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.

Specifications

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757614
• Canonical Smiles: 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
• Isomeric SMILES: CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl
• WGK Germany: 3
• RTECS: YQ9862000
• PubChem CID: 167980
• Molecular Weight: 423.94

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Associated Targets(Human)

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

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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)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 21.2, Max Conc. mM: 50
• Molecular Weight: 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

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