Information
Ca2+ channel agonist 1 is an agonist of N-type Ca2+ channel and an inhibitor of Cdk2 with EC50 of 14.23 μM and 3.34 μM, respectively, Ca2+ channel agonist 1 is used as a potential treatment for motor nerve terminal dysfunction.
| Sonrisas canónicas | CCCN1C=NC2=C(N=C(N=C21)NC(CC)CO)NCC3=CC=CC=C3 |
|---|---|
| IUPAC Name | (2R)-2-[[6-(benzylamino)-9-propylpurin-2-yl]amino]butan-1-ol |
| InChIKey | LKXPLOHGQSEPEM-OAHLLOKOSA-N |
| INCHI | 1S/C19H26N6O/c1-3-10-25-13-21-16-17(20-11-14-8-6-5-7-9-14)23-19(24-18(16)25)22-15(4-2)12-26/h5-9,13,15,26H,3-4,10-12H2,1-2H3,(H2,20,22,23,24)/t15-/m1/s1 |
| Isómeros SMILES | CCCN1C=NC2=C(N=C(N=C21)N[C@H](CC)CO)NCC3=CC=CC=C3 |
| Peso molecular | 354.45 |
| Reaxy-Rn | 51089425 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51089425&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | 6-aminopurines |
| Direct Parent | 6-alkylaminopurines |
| Alternative Parents | Benzylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary alcohols Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-alkylaminopurine - Benzylamine - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Azole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E2423244 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423246 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423248 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423249 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423251 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423253 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423255 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423257 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423258 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423260 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423262 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| E2423264 | Certificate of Analysis | Jan 20, 2024 | C412431 |
| Peso molecular | 354.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 354.217 Da |
| Monoisotopic Mass | 354.217 Da |
| Topological Polar Surface Area | 87.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 405.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
