Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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224,000+ produits de recherche · Triple ISO certified · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Spécifications et pureté
Moligand™, ≥98%
Mécanismes biochimiques et physiologiques
SR-3306 is a selective, potent, highly brain penetrant JNK inhibitor.
Conditions de stockage de stockage
Store at -20°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Moligand™
Type d'action
INHIBITOR
Pureté
≥98%
Noms et identifiants
| Sourires canoniques | CC1=NC=C(C=C1)C2=NN(C=N2)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC(=CC=C5)N6CCOCC6 |
|---|---|
| IUPAC Name | N-[4-[3-(6-methylpyridin-3-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine |
| InChIKey | QDMXVKKPYBGIAS-UHFFFAOYSA-N |
| INCHI | 1S/C28H26N8O/c1-20-5-6-22(18-30-20)27-31-19-36(34-27)24-9-7-23(8-10-24)32-28-29-12-11-26(33-28)21-3-2-4-25(17-21)35-13-15-37-16-14-35/h2-12,17-19H,13-16H2,1H3,(H,29,32,33) |
| Isomères SMILES | CC1=NC=C(C=C1)C2=NN(C=N2)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC(=CC=C5)N6CCOCC6 |
| Poids moléculaire | 490.56 |
| Reaxy-Rn | 19513136 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19513136&ln= |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Classe Diazines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Phenylmorpholines Pyridyl-1,2,4-triazoles Phenyl-1,2,4-triazoles Dialkylarylamines Aniline and substituted anilines Methylpyridines Aminopyrimidines and derivatives Heteroaromatic compounds Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmorpholine - 4-phenylpyrimidine - Pyridyl-1,2,4-triazole - Pyridyltriazole - Phenyl-1,2,4-triazole - Phenyltriazole - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Methylpyridine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Pyridine - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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 |
Structure 3D
Modèle de structure chimique interactif
Cibles associées (humaines)
KCNH2 Tclin HERG (29587 Activities)
PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)
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KIT Tclin Stem cell growth factor receptor (10667 Activities)
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CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAPK10 Tchem c-Jun N-terminal kinase 3 (3396 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
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TYK2 Tclin Tyrosine-protein kinase TYK2 (5029 Activities)
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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
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YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
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CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
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CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
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MAPK13 Tchem MAP kinase p38 (1586 Activities)
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Cibles associées (non humaines)
Hdac6 Histone deacetylase 6 (222 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rattus norvegicus (775804 Activities)
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rep Replicase polyprotein 1ab (378 Activities)
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Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
| Solubilité | DMSO : 125 mg/mL (254.81 mM; Need ultrasonic) |
|---|---|
| Poids moléculaire | 490.600 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 490.223 Da |
| Monoisotopic Mass | 490.223 Da |
| Topological Polar Surface Area | 93.900 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 700.000 |
| 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 |
Calculateurs de solution
Avis
Avis des clients
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View Moligand™ grade guide →Produits apparentés
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