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

CAS: 330981-72-1 Cat. No.: A288879 分子式: C₁₃H₁₄BrN₃O 分子量: 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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

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-(

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

GPR119 receptor agonist (EC50= 2.5μM in HEK293 cells expressing human GPR119). Enhances insulin secretion stimulated by glucosein vivo. Stimulates proGlukagon gene promoter actvity. Orally available.

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of GPR119

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

528763137

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528763137

カノニカル・スマイル

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)

異性体SMILES

CC1=CC(=NC(=N1)C2=CC=C(C=C2)Br)NCCO

分子量

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
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 30.82, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.82, Max Conc. mM: 100
• 感度: light sensitive
• 分子量: 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