Proparacaine HCl - ≥99% , Sodium channel alpha subunit blocker, CAS No.5875-06-9, Sodium channel alpha subunit blocker

CAS: 5875-06-9 Cat. No.: P129549 Molecular Weight: 330.85 EC Number: 227-541-7

GRADE & PURITY ≥99%

Synonyms

DTXCID1028948 | PF03491390 | Proparacaine hydrochloride (USP) | NSC-759896 | AKOS015844989 | AS-74462 | PROXYMETACAINE HYDROCHLORIDE [MART.] | Proparacaine hydrochloride, United States Pharmacopeia (USP) Reference Standard | PROXYMETACAINE HYDROCHLORIDE (

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Proparacaine HCl is a voltage-gated sodium channels antagonist with ED50 of 3.4 mM.

Specifications

Synonyms

DTXCID1028948 | PF03491390 | Proparacaine hydrochloride (USP) | NSC-759896 | AKOS015844989 | AS-74462 | PROXYMETACAINE HYDROCHLORIDE [MART.] | Proparacaine hydrochloride, United States Pharmacopeia (USP) Reference Standard | PROXYMETACAINE HYDROCHLORIDE (

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Neuron voltage-gated sodium channel protein blocker (IC 50 = 3.4 mM). Induces dose-related spinal blockades of motor function, proprioception and nociception. Shows anesthetic effects in vivo.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

BLOCKER

Mechanism of action

Sodium channel alpha subunit blocker

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504758997
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758997
• Canonical Smiles: CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N.Cl
• IUPAC Name: 2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;hydrochloride
• InChIKey: BFUUJUGQJUTPAF-UHFFFAOYSA-N
• INCHI: 1S/C16H26N2O3.ClH/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H
• Isomeric SMILES: CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N.Cl
• RTECS: DG3065000
• Molecular Weight: 330.85
• Reaxy-Rn: 3754950
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3754950&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Aminobenzoic acids and derivatives Aminophenyl ethers Phenoxy compounds Benzoyl derivatives Aniline and substituted anilines Alkyl aryl ethers Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic chloride salt - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

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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)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 12 mg/mL Water 66 mg/mL Ethanol <1 mg/mL
• Melt Point(°C): 184 °C
• Molecular Weight: 330.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 330.171 Da
• Monoisotopic Mass: 330.171 Da
• Topological Polar Surface Area: 64.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 295.000
• 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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