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Oxatomide

CAT: 0013-GTR19244253-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244253-01Size:1 g
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Description
Oxatomide is a potent and orally active dual H1-histamine receptor and P2X7 receptor antagonist with antihistamine and anti-allergic activity. Oxatomide almost completely blocks the ATP-induced current in human P2X7 receptors (IC50 of 0.95 μM) . Oxatomide inhibits ATP-induced Ca2+ influx with an IC50 value of 0.43 μM and also inhibits serotonin.
CAS Number
60607-34-3
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (586.10 mM; Ultrasonic)
Smiles
O=C1NC2=C (C=CC=C2) N1CCCN1CCN (CC1) C (C1=CC=CC=C1) C1=CC=CC=C1
Molecular Formula
C27H30N4O
Molecular Weight
426.55
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Oxatomide

Oxatomide is a member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug. It has a role as a geroprotector, a H1-receptor antagonist, a serotonergic antagonist, an anti-allergic agent and an anti-inflammatory agent. It is a member of benzimidazoles, a N-alkylpiperazine and a diarylmethane.

CAS Number60607-34-3
PubChem CID4615
IUPAC Name3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one
Molecular FormulaC27H30N4O
Molecular Weight426.6
XLogP4.1
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity574
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
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)
InChIKey
BAINIUMDFURPJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxatomide
CAS: 60607-34-3
CID: 4615
Formula: C27H30N4O
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass426.24196159
Monoisotopic Mass426.24196159
Topological Polar Surface Area38.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19280506-01N, N'-Bis (3-aminopropyl) oxamide

Alternative Products

CatalogName
286081-01Oxatomide
HY-123205R-01Oxatomide (Standard)
CS-O-63535N-Nitroso oxatomide
CS-O-63536N-Nitroso oxatomide Impurity 1
MBS6062767-01Oxatomide (1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-one,R-35443, Celtect, Cobiona, Dasten, Tinset)
O8107Oxatomide (1-[3-[4- (Diphenylmethyl) -1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-one, _x000B_R-35443, Celtect, Cobiona, Dasten, Tinset)

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