≥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.
Information
KDM4D-IN-1 KDM4D-IN-1 is a potent inhibitor of KDM4D with an IC50 of 0.41 μM.
Targets
KDM4D (Cell-free assay) 0.41 μM
| ALogP | 0.685 |
|---|---|
| Contagem HBD | 1 |
| Pubchem Sid | 504773482 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773482 |
| Sorrisos canónicos | CC1=NN2C(=C1C#N)NC(=O)C3=C2N=CC=C3 |
| IUPAC Name | 4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile |
| InChIKey | FIRSAIIBSBCBTF-UHFFFAOYSA-N |
| INCHI | 1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17) |
| SMILES isoméricas | CC1=NN2C(=C1C#N)NC(=O)C3=C2N=CC=C3 |
| PubChem CID | 137174251 |
| Peso molecular | 225.21 |
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 |
| Classe | Pyridines and derivatives |
| Subclass | Pyrazolylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolylpyridines |
| Alternative Parents | Pyrido[2,3-d]pyrimidines Pyrazolo[1,5-a]pyrimidines Pyrimidones Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-pyrazolylpyridine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Lactam - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| 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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| Solubilidade | Solubility (25°C) In vitro DMSO: 6 mg/mL (26.64 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO (mg/mL) Solubilidade máxima | 6 |
| DMSO (mM) Solubilidade máxima | 26.6418009857466 |
| Água (mg/mL) Solubilidade máxima | ＜1 |
| Peso molecular | 225.210 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 225.065 Da |
| Monoisotopic Mass | 225.065 Da |
| Topological Polar Surface Area | 83.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 389.000 |
| 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 |
H2213324