Ro 10-5824 dihydrochloride - ≥99%(HPLC) , CAS No.189744-94-3

CAS: 189744-94-3 Cat. No.: R287922 Peso molecular: 353.29 PubChem CID: 16759174

GRADE & PURITY ≥99%(HPLC)

Synonyms

4-Pyrimidinamine, 5-((3,6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl)-2-methyl-, dihydrochloride | 2-methyl-5-((4-phenyl-3,6-dihydropyridin-1(2H)-yl)methyl)pyrimidin-4-amine dihydrochloride | 4-Pyrimidinamine, 5-((3,6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl)

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

4-Pyrimidinamine, 5-((3, 6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl)-2-methyl-, dihydrochloride | 2-methyl-5-((4-phenyl-3, 6-dihydropyridin-1(2H)-yl)methyl)pyrimidin-4-amine dihydrochloride | 4-Pyrimidinamine, 5-((3, 6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl)

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Selective dopamine D4receptor partial agonist (EC50= 205 nM) that binds with high affinity (Ki= 5.2 nM). Displays 250-fold selectivity over D3receptors and > 1000-fold selectivity over D2, D1and D5receptors.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC1=NC=C(C(=N1)N)CN2CCC(=CC2)C3=CC=CC=C3.Cl.Cl
• IUPAC Name: 2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrimidin-4-amine;dihydrochloride
• InChIKey: UZHMRJRDYCRKIZ-UHFFFAOYSA-N
• INCHI: 1S/C17H20N4.2ClH/c1-13-19-11-16(17(18)20-13)12-21-9-7-15(8-10-21)14-5-3-2-4-6-14;;/h2-7,11H,8-10,12H2,1H3,(H2,18,19,20);2*1H
• Isómeros SMILES: CC1=NC=C(C(=N1)N)CN2CCC(=CC2)C3=CC=CC=C3.Cl.Cl
• PubChem CID: 16759174
• Peso molecular: 353.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: Aralkylamines Imidolactams Hydropyridines Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 35.33, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 26.5, Max Conc. mM: 75
• Sensibilidad: Moisture sensitive
• Peso molecular: 353.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 352.122 Da
• Monoisotopic Mass: 352.122 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 362.000
• 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: 3

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