| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| E422580-1ml | 1ml | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $241.90 |
ALK Inhibitors
| Synonyms | Ensartinib hydrochloride | 2137030-98-7 | Ensartinib dihydrochloride | X-396 hydrochloride | ENSARTINIB 2HCL | X-396 dihydrochloride | C2FR6VT1BQ | Ensartinib (dihydrochloride) | Ensartinib hydrochloride [USAN] | Ensartinib hydrochloride (USAN) | 3-Pyridazinecarboxamide, 6-a |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Biochemical and Physiological Mechanisms | Ensartinib (X-396) is a potent new-generation ALK inhibitor with high activity against a broad range of known crizotinib-resistant ALK mutations and CNS metastases. It potently inhibits both wild-type ALK and ALK variants (F1174, C1156Y, L1196M, S1206R, T |
| Storage Temp | Store at -80°C |
| Shipped In | Ice chest + Ice pads |
| Product Description | Information Ensartinib (X-396) dihydrochloride Ensartinib (X-396) is a potent new-generation ALK inhibitor with high activity against a broad range of known crizotinib-resistant ALK mutations and CNS metastases. It potently inhibits both wild-type ALK and ALK variants (F1174, C1156Y, L1196M, S1206R, T1151, and G1202R mutants) with in vitro IC50s of <4 nM. Targets TPM3-TRKA (Cell-free assay); TRKC (Cell-free assay); GOPC-ROS1 (Cell-free assay); ALK (Cell-free assay); ALK variants (Cell-free assay) <1 nM; <1 nM; <1 nM; <4 nM; <4 nM In vitro Ensartinib potently inhibits both wild-type ALK and all evaluated ALK variants (F1174, C1156Y, L1196M, S1206R, T1151, and G1202R mutants) with in vitro IC50s of <4 nM. Besides ALK, ensartinib also potently inhibits TPM3-TRKA, TRKC and GOPC-ROS1 with an IC50 of <1 nM, and inhibits EphA2, EphA1, EphB1 and c-MET with an IC50 of 1-10 nM. |
| ALogP | 5.051 |
|---|---|
| HBD Count | 3 |
| Rotatable Bond | 6 |
| IUPAC Name | 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridazine-3-carboxamide;dihydrochloride |
|---|---|
| INCHI | InChI=1S/C26H27Cl2FN6O3.2ClH/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28;;/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36);2*1H/t13-,14+,15-;;/m1../s1 |
| InChi Key | IERUINQRGJAECT-ISUJJMBGSA-N |
| Canonical SMILES | CC1CN(CC(N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)OC(C)C4=C(C=CC(=C4Cl)F)Cl)N.Cl.Cl |
| Isomeric SMILES | C[C@@H]1CN(C[C@@H](N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl)N.Cl.Cl |
| PubChem CID | 138320013 |
| Molecular Weight | 634.36 |
Enter Lot Number to search for COA:
| Sensitivity | Moisture sensitive |
|---|---|
| DMSO(mg / mL) Max Solubility | 100 |
| DMSO(mM) Max Solubility | 157.639195409547 |
| Water(mg / mL) Max Solubility | 27 |
| Water(mM) Max Solubility | 42.5625827605776 |
