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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™, 10mM in DMSO Moligand™ ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。
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クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。
Information
BDTX-189 is a potent and selective inhibitor of allostericEGFRandHER2oncogenic mutations with Kd of 0.2 nM, 0.76 nM, 13 nM and 1.2 nM for EGFR, HER2,BLKandRIPK2, reapectively. BDTX-189 exhibits anticancer activity.
Targets
EGFR (Cell-free assay); HER2 (Cell-free assay); RIPK2 (Cell-free assay); BLK (Cell-free assay) 0.2 nM(Kd); 0.76 nM(Kd); 1.2 nM(Kd); 13 nM(Kd)
In vitro
BDTX-189 is a potent, selective, irreversible active site inhibitor of the ERBB allosteric mutant oncogene family. BDTX-189 achieves a superior selectivity profile in cell-based assays.
In vivo
BDTX-189 is differentiated by potent, sustained inactivation of multiple allosteric ERBB mutants in vivo. BDTX-189 achieves dose-dependent regression of allosteric HER2 and EGFR tumors at well-tolerated doses.
Cell Research(from reference)
Cell lines:A431 cells, H292 cells
Incubation Time:0-24 h
危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。
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| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 分類 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Phenoxy compounds Phenol ethers N-arylamides Chlorobenzenes Alkyl aryl ethers 2-halopyridines Pyrimidines and pyrimidine derivatives Morpholines Imidolactams Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary amines Oxacyclic compounds Dialkyl ethers Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Phenoxy compound - N-arylamide - Phenol ether - 2-halopyridine - Halobenzene - Chlorobenzene - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Oxazinane - Morpholine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| DMSO(mg / mL) 最大溶解度 | 100 |
|---|---|
| DMSO(mM) 最大溶解度 | 178.243587686933 |
| 水(mg / mL) 最大溶解度 | <1 |
| 分子量 | 561.000 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 560.194 Da |
| Monoisotopic Mass | 560.194 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 804.000 |
| 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 |
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