≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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.
JAK/HDAC-IN-1 is a potent JAK2/HDAC dual inhibitor, exhibits antiproliferative and proapoptotic activities in several hematological cell lines. JAK/HDAC-IN-1 shows IC 50 s of 4 and 2 nM for JAK2 and HDAC , respectively
In Vitro
JAK/HDAC-IN-1 (Compound 8m) exhibits IC 50 s of 4.8, 7.4 and 49 nM for JAK1, JAK3 and TYK2, and 14, 120, 2470 nM for HDAC2, HDAC6 and HDAC8, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:JAK2 4 nM (IC 50 ) JAK1 4.8 nM (IC 50 ) JAK3 7.4 nM (IC 50 ) Tyk2 49 nM (IC 50 ) HDAC 2 nM (IC 50 ) HDAC2 14 nM (IC 50 ) HDAC6 120 nM (IC 50 ) HDAC8 2470 nM (IC 50 )
| Canonical Smiles | C1=CC(=CC=C1NC2=NC(=NC=C2Cl)NC3=CN(N=C3)CCCCCC(=O)NO)Cl |
|---|---|
| IUPAC Name | 6-[4-[[5-chloro-4-(4-chloroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyhexanamide |
| InChIKey | MTOQNLGMTJOJOF-UHFFFAOYSA-N |
| INCHI | 1S/C19H21Cl2N7O2/c20-13-5-7-14(8-6-13)24-18-16(21)11-22-19(26-18)25-15-10-23-28(12-15)9-3-1-2-4-17(29)27-30/h5-8,10-12,30H,1-4,9H2,(H,27,29)(H2,22,24,25,26) |
| Isomeric SMILES | C1=CC(=CC=C1NC2=NC(=NC=C2Cl)NC3=CN(N=C3)CCCCCC(=O)NO)Cl |
| PubChem CID | 138377596 |
| Molecular Weight | 450.3 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Chlorobenzenes Imidolactams Heteroaromatic compounds Azoles Hydroxamic acids Amino acids and derivatives Vinyl chlorides Secondary amines Propargyl-type 1,3-dipolar organic compounds Hydrazones Chloroalkenes Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halopyrimidine - Halobenzene - Chlorobenzene - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Hydroxamic acid - Amino acid or derivatives - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl chloride - Secondary amine - Hydrazone - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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 |
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| Solubility | DMSO : 20.83 mg/mL (46.26 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 450.300 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 449.113 Da |
| Monoisotopic Mass | 449.113 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 525.000 |
| 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 |
