Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Lomeguatrib is a potent inhibitor of O6-alkylguanine-DNA-alkyltransferase with IC50 of 5 nM.
A monosaccharide-linked inhibitor of MGMT.
| Canonical Smiles | C1=C(SC=C1Br)COC2=NC(=NC3=C2NC=N3)N |
|---|---|
| IUPAC Name | 6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine |
| InChIKey | JUJPKFNFCWJBCX-UHFFFAOYSA-N |
| INCHI | 1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16) |
| Isomeric SMILES | C1=C(SC=C1Br)COC2=NC(=NC3=C2NC=N3)N |
| WGK Germany | 3 |
| RTECS | UO7420000 |
| Molecular Weight | 326.17 |
| Reaxy-Rn | 26263521 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26263521&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Purinones |
| Direct Parent | Hypoxanthines |
| Alternative Parents | Aminopyrimidines and derivatives Alkyl aryl ethers Aryl bromides Thiophenes Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hypoxanthine - Alkyl aryl ether - Aminopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Thiophene - Azacycle - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
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| Molecular Weight | 326.170 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 324.963 Da |
| Monoisotopic Mass | 324.963 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 299.000 |
| 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 |