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DA 4643 (dihydrochloride)

CAT: 0804-HY-136818Size: 1 EachDry Ice: NoHazardous: No
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Description
DA 4643 (hydrochloride) is an H2 receptor antagonist with the chemical name 2-guanidino-4 (3-methylaminomethyleneiminophenyl) thiazole dihydrochloride. It has a weak interaction with cytochrome P-450 and has a less inhibitory effect on P-450 than cimetidine and tiotidine. DA 4643 (hydrochloride) is able to inhibit both enzymatic and non-enzymatic lipid peroxidation reactions. This inhibition may not be achieved by inhibiting agent metabolizing enzymes, but rather due to the antioxidant properties of the compound itself. Compared with other H2 receptor antagonists such as cimetidine, ranitidine and tiotidine, DA 4643 (hydrochloride) shows a unique effect in lipid peroxidation inhibition. These properties make DA 4643 (hydrochloride) a potential H2 receptor antagonist with multiple mechanisms of action.
CAS Number
95833-19-5
UNSPSC
12352005
Target
Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/da-4643-dihydrochloride.html
Smiles
C/N=C/NC1=CC=CC(C2=CSC(NC(N)=N)=N2)=C1.Cl.Cl
Molecular Formula
C12H16Cl2N6S
Molecular Weight
347.27
References & Citations
[1]The effect of some H2-receptor antagonists on rat hepatic microsomal cytochrome P-450 and lipid peroxidation in vitro
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

DA 4643

structure given in first source

CAS Number95833-19-5
PubChem CID125857
IUPAC NameN-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-N'-methylmethanimidamide;dihydrochloride
Molecular FormulaC12H16Cl2N6S
Molecular Weight347.3
Topological Polar Surface Area130
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity341
SMILES
CN=CNC1=CC=CC(=C1)C2=CSC(=N2)N=C(N)N.Cl.Cl
InChI
InChI=1S/C12H14N6S.2ClH/c1-15-7-16-9-4-2-3-8(5-9)10-6-19-12(17-10)18-11(13)14;;/h2-7H,1H3,(H,15,16)(H4,13,14,17,18);2*1H
InChIKey
IEYCURUPIFJVRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DA 4643
CAS: 95833-19-5
CID: 125857
Formula: C12H16Cl2N6S
MW: 347.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass346.0534211
Monoisotopic Mass346.0534211
Topological Polar Surface Area130 Ų
Heavy Atom Count21
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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