Oxatomide - ≥98% , Histamine H1 receptor antagonist, CAS No.60607-34-3, Histamine H1 receptor antagonist

CAS: 60607-34-3 Cat. No.: O339246 Formule: C₂₇H₃₀N₄O Poids moléculaire: 426.57 Beilstein Registry Number: 4724760 Numéro CE: 262-320-9

QUALITÉ & PURETÉ ≥98%

Synonyms

Lopac0_000924 | CHEBI:31943 | McN-JR 35443 | oxatomide | Oxatomide, >=99% | 2H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro- | 3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one | Celtect (TN) | HMS3372K

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Oxatomide is a phenylpiperazine which acts as an H1 receptor antagonist. An interesting characteristic of Oxatomide is that it does not block acetylcholine in the central and peripheral nervous system. Studies conducted on guinea pigs show that Oxatomide suppresses PAF-induced bronchoconstriction and inhibits the release of leukotrienes and other mediators. Alternate studies show that the effectiveness of Oxatomide is not altered as a result of pretreating the cells with histamine, which is observed in other H1 receptor antagonists such as Fexofenadine . It is believed that Oxatomide's lipophilic properties allow it to cross the plasma membrane of cells.

Spécifications

Synonymes

Lopac0_000924 | CHEBI:31943 | McN-JR 35443 | oxatomide | Oxatomide, >=99% | 2H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro- | 3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one | Celtect (TN) | HMS3372K

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Mécanisme d'action

Histamine H1 receptor antagonist

Pureté

≥98%

Propriétés du produit

pKa

pKa: 12.2 (Predicted), pKa: 7.5 (Predicted)

ALogP

4.1

Noms et identifiants

Pubchem Sid

508811046

Sourires canoniques

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

IUPAC Name

3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one

InChIKey

BAINIUMDFURPJM-UHFFFAOYSA-N

INCHI

1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)

Isomères SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

WGK Allemagne

3

RTECS

DE2276000

Poids moléculaire

426.57

Beilstein

4724760

Reaxy-Rn

4724760

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4724760&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzimidazoles N-alkylpiperazines Aralkylamines N-substituted imidazoles Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Benzimidazole - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - N-substituted imidazole - Piperazine - Azole - Imidazole - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, ethanol, methanol, water, and chloroform.
• Indice de réfraction: n20D1.62
• Rotation spécifique [α]: α20/D +3°, c = 0.4 in water
• Point d'ébullition (°C): 621.1° C
• Point de fusion (°C): 153-154° C
• Poids moléculaire: 426.600 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 426.242 Da
• Monoisotopic Mass: 426.242 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 574.000
• 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