WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 207150
CAS#: 2414572-47-5
Description: BDTX-189 is an orally bioavailable, irreversible, selective, small-molecule inhibitor of certain oncogenic driver, allosteric mutations of the ErbB receptor tyrosine kinases epidermal growth factor receptor (EGFR/ErbB1) and human epidermal growth factor receptor 2 (HER2/neu or ErbB2), including extracellular domain allosteric mutations of HER2, and EGFR and HER2 exon 20 insertion mutations, with potential antineoplastic activity. BDTX-189 selectively binds to and inhibits these allosteric ErbB mutants while sparing wild-type EGFR, which may result in the selective inhibition of cellular proliferation and angiogenesis in tumor cells and tumors expressing these allosteric ErbB mutations.
MedKoo Cat#: 207150
Name: BDTX-189
CAS#: 2414572-47-5
Chemical Formula: C29H29ClN6O4
Exact Mass: 560.1939
Molecular Weight: 561.039
Elemental Analysis: C, 62.08; H, 5.21; Cl, 6.32; N, 14.98; O, 11.41
Synonym: BDTX-189; BDTX 189; BDTX189; EGFR/HER2 inhibitor BDTX-189; ErbB mutant-specific inhibitor BDTX-189; tuxobertinib
IUPAC/Chemical Name: N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-7-(2-morpholinoethoxy)quinazolin-6-yl)acrylamide
InChi Key: HIBPKFXWOPYJPZ-UHFFFAOYSA-N
InChi Code: InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)
SMILES Code: O=C(NC1=C(C=C(C2=C1)N=CN=C2NC3=CC(Cl)=C(C=C3)OCC4=NC=CC=C4)OCCN5CCOCC5)C=C
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 22.56 | 40.21 | |
| DMF | 1.0 | 1.78 | |
| DMF:PBS (pH 7.2) (1:2) | 0.3 | 0.53 |
The following data is based on the product molecular weight 561.039 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
EGFR and HER2, ErbB receptor tyrosine kinases mutated or overexpressed in many tumor cell types, play a key role in tumor cell proliferation and tumor vascularization.
