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.
Information
GK921 GK921 is a transglutaminase 2 (TGase 2) inhibitor with an IC50 of 8.93 μM under a modified assay condition.
Targets
TGase 2 8.93 μM
| ALogP | 3.998 |
|---|---|
| hba_count | 4 |
| Rotatable Bond | 6 |
| Canonical Smiles | C1CCN(C1)CCOC2=NC3=C(N=CC=C3)N=C2C#CC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 3-(2-phenylethynyl)-2-(2-pyrrolidin-1-ylethoxy)pyrido[2,3-b]pyrazine |
| InChIKey | MNYJJHBAEYKXEG-UHFFFAOYSA-N |
| INCHI | 1S/C21H20N4O/c1-2-7-17(8-3-1)10-11-19-21(26-16-15-25-13-4-5-14-25)24-18-9-6-12-22-20(18)23-19/h1-3,6-9,12H,4-5,13-16H2 |
| Isomeric SMILES | C1CCN(C1)CCOC2=NC3=C(N=CC=C3)N=C2C#CC4=CC=CC=C4 |
| Molecular Weight | 344.41 |
| Reaxy-Rn | 21826827 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21826827&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 | Pyridopyrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrazines |
| Alternative Parents | Alkyl aryl ethers Pyridines and derivatives Pyrazines N-alkylpyrrolidines Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrazine - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazine - Pyridine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridopyrazines. These are aromatic heteropolycyclic compounds containing a pyridine ring fused to a pyrazine ring. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| DMSO(mg / mL) Max Solubility | 33 |
|---|---|
| DMSO(mM) Max Solubility | 95.8160332162248 |
| Water(mg / mL) Max Solubility | -1 |
| Molecular Weight | 344.400 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 344.164 Da |
| Monoisotopic Mass | 344.164 Da |
| Topological Polar Surface Area | 51.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 501.000 |
| 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 |
