AS 1269574 - Moligand™, ≥98%(HPLC) , Agonist of GPR119, CAS No.330981-72-1, Agonist of GPR119

CAS: 330981-72-1 Cat. No.: A288879 Fórmula: C₁₃H₁₄BrN₃O Peso molecular: 308.17

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

HY-107535 | 2-(2-(4-bromophenyl)-6-methylpyrimidin-4-ylamino)ethanol | DTXSID90416373 | 2-[[2-(4-Bromophenyl)-6-methyl-4-pyrinidinyl]amino]ethanol | 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol | AKOS005229115 | Z1095349900 | Q27074518 | 2-(

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

HY-107535 | 2-(2-(4-bromophenyl)-6-methylpyrimidin-4-ylamino)ethanol | DTXSID90416373 | 2-[[2-(4-Bromophenyl)-6-methyl-4-pyrinidinyl]amino]ethanol | 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol | AKOS005229115 | Z1095349900 | Q27074518 | 2-(

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Agonista del receptor GPR119 (EC50= 2,5μM en células HEK293 que expresan GPR119 humano). Aumenta la secreción de insulina estimulada por glucosa in vivo. Estimula la actividad promotora del gen proGlukagon. Disponible por vía oral.

Condiciones de almacenamiento de almacenamiento

Protegido de la luz,Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of GPR119

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 528763137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528763137
• Sonrisas canónicas: CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)NCCO
• IUPAC Name: 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
• InChIKey: DUKPGOOUJNUIOI-UHFFFAOYSA-N
• INCHI: 1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
• Isómeros SMILES: CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)NCCO
• Peso molecular: 308.17
• Reaxy-Rn: 22432810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22432810&ln=

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: Bromobenzenes Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Alkanolamine - Azacycle - Organobromide - Organohalogen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

Discover Target: CYP1A2

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

GPR119 Tclin Glucose-dependent insulinotropic receptor (1 Activities)

Discover Target: GPR119

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 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

Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

Discover Target: Gpr119

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 30.82, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.82, Max Conc. mM: 100
• Sensibilidad: light sensitive
• Peso molecular: 308.170 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 307.032 Da
• Monoisotopic Mass: 307.032 Da
• Topological Polar Surface Area: 58.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 246.000
• 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: 1