MedKoo Cat#: 207150 | Name: BDTX-189
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

BDTX-189
BDTX-189
CAS#2414572-47-5

Theoretical Analysis

MedKoo Cat#: 207150

Name: BDTX-189

CAS#: 2414572-47-5

Chemical Formula: C29H29ClN6O4

Exact Mass: 560.1939

Molecular Weight: 561.04

Elemental Analysis: C, 62.08; H, 5.21; Cl, 6.32; N, 14.98; O, 11.41

Price and Availability

Size Price Availability Quantity
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,250.00 2 Weeks
1g USD 3,050.00 2 Weeks
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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
More Info
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.
Solvent mg/mL mM
Solubility
DMSO 22.6 40.21
DMF 1.0 1.78
DMF:PBS (pH 7.2) (1:2) 0.3 0.53
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 561.04 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.

Recalculate based on batch purity %
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
Wang R, Cui W, Li L, Wei X, Chu C, Zhang G, Liu C, Xu H, Liu C, Wang K, Li Y, An L. BDTX-189, a novel tyrosine kinase inhibitor, inhibits cell activity via ERK and AKT pathways in the EGFR C797S triple mutant cells. Chem Biol Interact. 2024 May 25;395:111033. doi: 10.1016/j.cbi.2024.111033. Epub 2024 May 6. PMID: 38710274.