Moxisylyte hydrochloride - ≥99% , CAS No.964-52-3

CAS: 964-52-3 Cat. No.: M171294 Molecular Weight: 315.84 EC Number: 213-519-4

GRADE & PURITY ≥99%

Synonyms

Carvacrol, acetate (ester), hydrochloride | SCHEMBL15159483 | SMR000058476 | AKOS005203374 | WK2KZM9V6X | SCHEMBL317080 | Pipotiazin Retard | DTXSID70867309 | NCGC00261452-01 | s5666 | CHEBI:31868 | HMS1704O01 | 1-N-(L(-)-gamma-Amino-alpha-hydroxybutyryl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description

Moxisylyte (hydrochloride) is (alpha 1-blocker) antagonist, it can vasodilates cerebral vessels without reducing blood pressure. It is also used locally in the eye to reverse the mydriasis caused by phenylephrine and other sympathomimetic agents.

Specifications

Synonyms

Carvacrol, acetate (ester), hydrochloride | SCHEMBL15159483 | SMR000058476 | AKOS005203374 | WK2KZM9V6X | SCHEMBL317080 | Pipotiazin Retard | DTXSID70867309 | NCGC00261452-01 | s5666 | CHEBI:31868 | HMS1704O01 | 1-N-(L(-)-gamma-Amino-alpha-hydroxybutyryl)

Specifications & Purity

≥99%

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

ANTAGONIST

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504764123
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764123
• Canonical Smiles: CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C.Cl
• IUPAC Name: [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] acetate;hydrochloride
• InChIKey: IPWGSXZCDPTDEH-UHFFFAOYSA-N
• INCHI: 1S/C16H25NO3.ClH/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;/h9-11H,7-8H2,1-6H3;1H
• Isomeric SMILES: CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C.Cl
• Molecular Weight: 315.84
• Reaxy-Rn: 3750837
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3750837&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenol esters Cumenes Phenylpropanes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic monoterpenoid - P-cymene - Aromatic monoterpenoid - Phenol ester - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic chloride salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 315.830 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 315.16 Da
• Monoisotopic Mass: 315.16 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 304.000
• 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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