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 Molecular Weight: 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

Overview

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

Specifications

Synonyms

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of H 2 receptor

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=C(N=CN1)CSCCNC(=S)NC
• Molecular Weight: 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
    • Class Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Canis familiaris (36305 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: (25℃): Water 28.7 mg/mL
• Molecular Weight: 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