IBZM , CAS No.84226-06-2

CAS: 84226-06-2 Cat. No.: I333289 Summenformel: C₁₅H₂₁IN₂O₃ Molekulargewicht: 404.23

Synonyms

N-[[(2S)-1-Ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-3-iodo-6-methoxybenzamide | (S)-(-)-IBZM | (S)-N-(1-Ethyl-2-pyrrolidinyl)methyl-2-hydroxy-3-iodo-6-methoxybenzamide | Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-3-iodo-6-methoxy-, (S)- | IOLOP

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

IBZM is a halogenated benzamide derivative used as a potential radioligand for non-invasive quantification of D2-like dopamine receptors. The main purpose of a brain study with IBZM is the differentiation of Parkinson's disease from other neurodegenerative diseases

Specifications

Synonyme

N-[[(2S)-1-Ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-3-iodo-6-methoxybenzamide | (S)-(-)-IBZM | (S)-N-(1-Ethyl-2-pyrrolidinyl)methyl-2-hydroxy-3-iodo-6-methoxybenzamide | Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-3-iodo-6-methoxy-, (S)- | IOLOP

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Kanonisches Lächeln

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2O)I)OC

IUPAC Name

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-3-iodo-6-methoxybenzamide

InChIKey

CANPFCFJURGKAX-JTQLQIEISA-N

INCHI

1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1

Isomere SMILES

CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2O)I)OC

Molekulargewicht

404.23

Reaxy-Rn

4322848

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4322848&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Hydroxybenzoic acid derivatives
          • Ebene6 Salicylic acid and derivatives
            • Ebene7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: 3-halobenzoic acids and derivatives Methoxyphenols Benzamides Phenoxy compounds Anisoles Benzoyl derivatives O-iodophenols Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Iodobenzenes Aryl iodides N-alkylpyrrolidines Vinylogous acids Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Organic oxides Organoiodides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Salicylamide - Methoxyphenol - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Anisole - 2-iodophenol - Benzoyl - Methoxybenzene - 2-halophenol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - N-alkylpyrrolidine - Vinylogous acid - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organooxygen compound - Organoiodide - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative 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

Zugehörige Ziele (menschlich)

DRD2 Tclin D(2) dopamine receptor (2 Activities)

Discover Target: DRD2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD3 Tclin D(3) dopamine receptor (1 Activities)

Discover Target: DRD3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

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

DRD4 Tchem Dopamine D4 receptor (7907 Activities)

Discover Target: DRD4

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

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 404.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 404.06 Da
• Monoisotopic Mass: 404.06 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 356.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1

Häufig gestellte Fragen

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 84226-06-2, the molecular formula is C15H21IN2O3, and the molecular weight is 404.23 g/mol. InChIKey CANPFCFJURGKAX-JTQLQIEISA-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.