Metiamide - Moligand™, ≥98% , Antagonist of H 2 receptor, CAS No.34839-70-8, Antagonist of H 2 receptor

CAS: 34839-70-8 Cat. No.: M125130 Fórmula: C₉H₁₆N₄S₂ Peso molecular: 244.38

GRADE & PURITY Moligand™, ≥98%

Synonyms

SK&F 92058 | 1-Methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)thiourea

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Metiamide (SK&F 92058) is a histamine H2-receptor antagonist.

Specifications

Sinónimos

SK&F 92058 | 1-Methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)thiourea

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Description: IC50 Value: 0.92uM(Ki with glycolaldehyde as the varied substrate for E3) Metiamide is a histamine H2-receptor antagonist developed from another H2 antagonist, burimamide. It was an intermediate compound in the development of

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of H 2 receptor

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528773534
• Sorrisos canónicos: CC1=C(N=CN1)CSCCNC(=S)NC
• IUPAC Name: 1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
• InChIKey: FPBPLBWLMYGIQR-UHFFFAOYSA-N
• INCHI: 1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
• SMILES isoméricas: CC1=C(N=CN1)CSCCNC(=S)NC
• Peso molecular: 244.38
• Reaxy-Rn: 884514
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=884514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Thioureas Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Thiourea - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• External Descriptors: imidazoles

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

Alvos associados (humanos)

HRH2 Tclin Histamine H2 receptor (1 Activities)

Discover Target: HRH2

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

HRH2 Tclin Histamine H2 receptor (5428 Activities)

Discover Target: HRH2

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

HRH1 Tclin Histamine H1 receptor (7573 Activities)

Discover Target: HRH1

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

HRH3 Tclin Histamine H3 receptor (10389 Activities)

Discover Target: HRH3

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

Alvos associados (não humanos)

Canis familiaris (36305 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: (25℃): Water 28.7 mg/mL
• Peso molecular: 244.400 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 244.082 Da
• Monoisotopic Mass: 244.082 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 201.000
• 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