≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Syk-IN-1 (compound 4) is a potent Syk inhibitor, with an IC 50 of 35 nM.
Form:Solid
| Canonical Smiles | C1CCC(C(C1)N)NC2=NC(=C(N=N2)C(=O)N)NC3=CC=CC4=C3NC=C4 |
|---|---|
| IUPAC Name | 3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide |
| InChIKey | FPQNRXITKTZFMF-NWDGAFQWSA-N |
| INCHI | 1S/C18H22N8O/c19-11-5-1-2-6-12(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-4-10-8-9-21-14(10)13/h3-4,7-9,11-12,21H,1-2,5-6,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,12+/m0/s1 |
| Isomeric SMILES | C1CC[C@H]([C@H](C1)N)NC2=NC(=C(N=N2)C(=O)N)NC3=CC=CC4=C3NC=C4 |
| PubChem CID | 72202597 |
| Molecular Weight | 366.42 |
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 | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | 2-heteroaryl carboxamides Aminotriazines Cyclohexylamines 1,2,4-triazines Imidolactams Benzenoids Vinylogous amides Pyrroles Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - 2-heteroaryl carboxamide - Aminotriazine - Cyclohexylamine - Triazine - Benzenoid - Imidolactam - 1,2,4-triazine - Pyrrole - Heteroaromatic compound - Vinylogous amide - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| External Descriptors | Not available |
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| Solubility | DMSO : 100 mg/mL (272.91 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 366.400 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 366.192 Da |
| Monoisotopic Mass | 366.192 Da |
| Topological Polar Surface Area | 148.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
