≥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
UNC2025 HCl UNC2025 HCl is a potent and orally bioavailable dual MER/FLT3 inhibitor with IC50 of 0.74 nM and 0.8 nM, respectively, about 20-fold selectivity over Axl and Tyro3.
Targets
Mer (Cell-free assay); FLT3 (Cell-free assay); Axl (Cell-free assay); Tyro3 (Cell-free assay) 0.74 nM ;0.8 nM; 14 nM; 17 nM
In vitro
In 697 B-ALL cells, UNC-2025 potently inhibits Mer phosphorylation with IC50 of 2.7 nM. In A549 NSCLC and Molm-14 AML cell lines, UNC-2025 causes significant inhibition of colony formation dependent on Mer8 and Flt3. In H2228 and H1299 cell lines, UNC-2025 inhibits MERTK oncogenic signaling downstream, such as basal and stimulated pAKT and pERK1/2. In four NSCLC cell lines, UNC-2025 also induces apoptotic cell death, and decreases colony formation.
In vivo
In mice bearing 697 acute leukemia tumors, UNC-2025 (3 mg/kg, p.o.) shows good solubility and DMPK properties, and results in effective target inhibition. In mice bearing H2228 or A549 tumors, UNC-2025 (50 mg/kg, p.o.) inhibits tumor growth.
| ALogP | 4.96 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 8 |
| Canonical Smiles | CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)C.Cl |
|---|---|
| IUPAC Name | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;hydrochloride |
| InChIKey | NYHAEAZNSGIAPV-UHFFFAOYSA-N |
| INCHI | 1S/C28H40N6O.ClH/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33;/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31);1H |
| Isomeric SMILES | CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)C.Cl |
| PubChem CID | 92044362 |
| Molecular Weight | 513.12 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | Solubility (25°C) In vitro Water: 100 mg/mL (194.88 mM); DMSO: 25 mg/mL warmed with 50ºC Water: bath (48.72 mM); Ethanol: 8 mg/mL warmed with 50ºC Water: bath (15.59 mM); |
|---|---|
| DMSO(mg / mL) Max Solubility | 25 |
| DMSO(mM) Max Solubility | 48.72154662 |
| Water(mg / mL) Max Solubility | 100 |
| Water(mM) Max Solubility | 194.8861865 |
| Molecular Weight | 513.100 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 512.303 Da |
| Monoisotopic Mass | 512.303 Da |
| Topological Polar Surface Area | 69.500 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 627.000 |
| 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 | 2 |
