LOE 908 chlorhydrate - ≥98%(HPLC) , CAS No.143482-60-4

CAS: 143482-60-4 Cat. No.: L288729 Formule: C₄₁H₄₈N₂O₉.HCl Poids moléculaire: 749.29

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

LOE908Hydrochloride | DTXCID8026305 | Pinokalant hydrochloride | HY-107756 | J-008619 | CAS-143482-60-4 | LOE 908 hydrochloride | 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide;hydrochloride | 3,4-

Storage

Température ambiante,Déshydraté

Shipped In

Normal

Spécifications

Synonymes

LOE908Hydrochloride | DTXCID8026305 | Pinokalant hydrochloride | HY-107756 | J-008619 | CAS-143482-60-4 | LOE 908 hydrochloride | 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide;hydrochloride | 3,4-

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Bloqueur de canaux cationiques à large spectre. Inhibe plusieurs canaux cationiques, y compris les canaux calciques opérés par les réserves (SOC), les canaux calciques opérés par la tension (VOC), les canaux cationiques non sélectifs (NSCC), les canaux AM

Conditions de stockage de stockage

Température ambiante,Déshydraté

Expédié en

Normal

Type d'action

INHIBITOR

Pureté

≥98%(HPLC)

Noms et identifiants

Sourires canoniques

COC1=C(C(=C(C=C1)CCN(CCC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(C3=CC=CC=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC.Cl

IUPAC Name

2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide;hydrochloride

InChIKey

UDKSNBMNKLDHNK-UHFFFAOYSA-N

INCHI

1S/C41H48N2O9.ClH/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-4)33(47-3)24-29(30)18-21-42-36;/h9-17,24-25,35H,18-23H2,1-8H3;1H

Isomères SMILES

COC1=C(C(=C(C=C1)CCN(CCC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(C3=CC=CC=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC.Cl

Poids moléculaire

749.29

Reaxy-Rn

24243253

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24243253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoquinolines and derivatives
      • Subclass Benzylisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Benzylisoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylisoquinolines
• Alternative Parents: Phenylacetamides Dihydroisoquinolines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzylisoquinoline - Dihydroisoquinoline - Phenylacetamide - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organopnictogen compound - Imine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
• 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

Cibles associées (humaines)

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: 37.46, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 74.93, Max Conc. mM: 100
• Poids moléculaire: 749.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 17
• Exact Mass: 748.313 Da
• Monoisotopic Mass: 748.313 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1060.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 143482-60-4, the molecular formula is C??H??N?O?.HCl, and the molecular weight is 749.29 g/mol. InChIKey UDKSNBMNKLDHNK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.