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Basic Description
| Synonyms | 5-Bromocytosine | 2240-25-7 | 4-Amino-5-bromopyrimidin-2(1H)-one | 4-Amino-5-bromo-2-hydroxypyrimidine | 6-Amino-5-bromo-1H-pyrimidin-2-one | 2(1H)-Pyrimidinone, 4-amino-5-bromo- | 6-AMINO-5-BROMOPYRIMIDIN-2(1H)-ONE | 4-aMino-5-broMo-1,2-dihydropyriMidin-2-one | 6-AMINO- |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
5-Bromocytosine derivative (β isomer) is a potent anti-HIV agent. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Diazines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Azacycle - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
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Associated Targets(Human)
XDH
Tclin
Xanthine dehydrogenase (1038 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| IUPAC Name | 6-amino-5-bromo-1H-pyrimidin-2-one |
|---|---|
| INCHI | InChI=1S/C4H4BrN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9) |
| InChIKey | QFVKLKDEXOWFSL-UHFFFAOYSA-N |
| Smiles | C1=NC(=O)NC(=C1Br)N |
| Isomeric SMILES | C1=NC(=O)NC(=C1Br)N |
| WGK Germany | 3 |
| Molecular Weight | 190 |
| Beilstein | 127286 |
| Reaxy-Rn | 9845073 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9845073&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | air sensitive |
|---|---|
| Melt Point(°C) | 240-245 °C(dec.) |
| Molecular Weight | 190.000 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 188.954 Da |
| Monoisotopic Mass | 188.954 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| 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 |
Solution Calculators
Reviews
Customer Reviews
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