≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Taletrectinib (DS-6051b, AB-106) is a new-generation selectiveROS1/NTRKinhibitor with ic50 of 0.207 nM,0.622 nM,2.28 nM and 0.980 nM for ROS1,NTRK1,NTRK2 and NTRK3,respectively.
Targets
ROS1 (Cell-free assay); TrkA (Cell-free assay); TrkC (Cell-free assay); TrkB (Cell-free assay) 0.207 nM; 0.622 nM; 0.980 nM; 2.28 nM
In vitro
DS-6051b inhibited the growth of the CD74-ROS1 overexpressed Ba/F3 cells and the ROS1 fusion-positive HCC78 cancer cell line.DS-6051b potently inhibited autophosphorylation of ROS1 in CD74-ROS1–expressed Ba/F3 cells and the SLC34A2-ROS1 harboring HCC78 cells at approximately single-digit to double-digit nanomolar concentration.
In vivo
In vivo experiments using the KM12-bearing mouse xenograft model shows that DS-6051b induced tumor shrinkage at a ≥50\u2009mg/kg or higher treatment dose without significant body weight loss.
| ALogP | 2.17 |
|---|---|
| Recuento HBD | 2 |
| Enlace rotable | 12 |
| Pubchem Sid | 504772287 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772287 |
| Sonrisas canónicas | CC(COC1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)NC(C)C4=CC(=CC=C4)F)N.C(CCC(=O)O)CC(=O)O |
| IUPAC Name | 3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine;hexanedioic acid |
| InChIKey | DORJQZDOULKINH-QNBGGDODSA-N |
| INCHI | 1S/C23H24FN5O.C6H10O4/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18;7-5(8)3-1-2-4-6(9)10/h3-13,15-16H,14,25H2,1-2H3,(H,27,28);1-4H2,(H,7,8)(H,9,10)/t15-,16-;/m1./s1 |
| Isómeros SMILES | C[C@H](COC1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)N[C@H](C)C4=CC(=CC=C4)F)N.C(CCC(=O)O)CC(=O)O |
| PubChem CID | 72694302 |
| Peso molecular | 551.61 |
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 |
| Clase | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Phenoxy compounds Phenol ethers Medium-chain fatty acids Alkyl aryl ethers Aminopyridazines Fluorobenzenes N-substituted imidazoles Aryl fluorides Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides |
| Molecular Framework | Not available |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Aminopyridazine - Halobenzene - Fluorobenzene - N-substituted imidazole - Imidolactam - Benzenoid - Fatty acid - Pyridazine - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Primary amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2209756 | Certificate of Analysis | May 12, 2025 | T414257 |
| H2209757 | Certificate of Analysis | May 12, 2025 | T414257 |
| H2209758 | Certificate of Analysis | May 12, 2025 | T414257 |
| H2209759 | Certificate of Analysis | May 12, 2025 | T414257 |
| H2209761 | Certificate of Analysis | May 12, 2025 | T414257 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 50 mg/mL (90.64 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| Sensibilidad | Sensitive to humidity |
| DMSO (mg/ml) Solubilidad máxima | 50 |
| DMSO (mM) Solubilidad máxima | 90.6437519261797 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 551.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Exact Mass | 551.254 Da |
| Monoisotopic Mass | 551.254 Da |
| Topological Polar Surface Area | 152.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
| 1. Jiawen Yang, Yifan Wu, Qiaoliang Zhu, Xiaojuan Qu, Hongyue Ou, Haixia Liu, Yongqi Wei, Di Ge, Chunlai Lu, Biao Jiang, Xiaoling Song. (2024) Discovery of a first-in-class protein degrader for the c-ros oncogene 1 (ROS1). BIOORGANIC CHEMISTRY, [PMID:38955003] [10.1016/j.bioorg.2024.107590] |
