WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 207179
CAS#: 2660250-10-0
Description: BLU-945 is a fourth-generation, potent and highly selective epidermal growth factor receptor tyrosine kinase inhibitor (EGFR inhibitor) with intracranial activity. BLU-945 demonstrates robust in vivo anti-tumor activity in models of osimertinib-resistant non-small cell lung cancer. BLU-945 is a potential best-in-class, selective, potent, fourth-generation EGFR TKI with activity against the EGFRm/T790M double and EGFRm/T790M/C797S triple mutants.
MedKoo Cat#: 207179
Name: BLU-945
CAS#: 2660250-10-0
Chemical Formula: C28H37FN6O3S
Exact Mass: 556.2632
Molecular Weight: 556.7014
Elemental Analysis: C, 60.41; H, 6.70; F, 3.41; N, 15.10; O, 8.62; S, 5.76
Synonym: BLU-945; BLU 945; BLU945;
IUPAC/Chemical Name: N-(2-((3S,4R)-3-fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-yl)-5-isopropyl-8-((2R,3S)-2-methyl-3-((methylsulfonyl)methyl)azetidin-1-yl)isoquinolin-3-amine
InChi Key: LIMFPAAAIVQRRD-BCGVJQADSA-N
InChi Code: InChI=1S/C28H37FN6O3S/c1-17(2)20-6-7-24(35-14-19(18(35)3)16-39(5,36)37)22-13-31-27(12-21(20)22)32-26-8-10-30-28(33-26)34-11-9-25(38-4)23(29)15-34/h6-8,10,12-13,17-19,23,25H,9,11,14-16H2,1-5H3,(H,30,31,32,33)/t18-,19-,23+,25-/m1/s1
SMILES Code: CC(C1=CC=C(N2[C@@H]([C@H](C2)CS(C)(=O)=O)C)C3=C1C=C(NC4=NC(N5C[C@@H]([C@@H](CC5)OC)F)=NC=C4)N=C3)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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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
| Biological target: | BLU-945 is a reversible and orally active epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKIs). |
| In vitro activity: | BLU-945 (compound 30) is a potent, reversible, wild-type-sparing inhibitor of EGFR+/T790M and EGFR+/T790M/C797S resistance mutants that maintains activity against the sensitizing mutations, especially L858R. Reference: J Med Chem. 2022 Jul 28;65(14):9662-9677. https://pubmed.ncbi.nlm.nih.gov/35838760/ |
| In vivo activity: | TBD |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 112.5 | 202.08 |
The following data is based on the product molecular weight 556.7014 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 |
| Formulation protocol: | Eno MS, Brubaker JD, Campbell JE, De Savi C, Guzi TJ, Williams BD, Wilson D, Wilson K, Brooijmans N, Kim J, Özen A, Perola E, Hsieh J, Brown V, Fetalvero K, Garner A, Zhang Z, Stevison F, Woessner R, Singh J, Timsit Y, Kinkema C, Medendorp C, Lee C, Albayya F, Zalutskaya A, Schalm S, Dineen TA. Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J Med Chem. 2022 Jul 28;65(14):9662-9677. doi: 10.1021/acs.jmedchem.2c00704. Epub 2022 Jul 15. PMID: 35838760; PMCID: PMC9340769. |
| In vitro protocol: | Eno MS, Brubaker JD, Campbell JE, De Savi C, Guzi TJ, Williams BD, Wilson D, Wilson K, Brooijmans N, Kim J, Özen A, Perola E, Hsieh J, Brown V, Fetalvero K, Garner A, Zhang Z, Stevison F, Woessner R, Singh J, Timsit Y, Kinkema C, Medendorp C, Lee C, Albayya F, Zalutskaya A, Schalm S, Dineen TA. Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J Med Chem. 2022 Jul 28;65(14):9662-9677. doi: 10.1021/acs.jmedchem.2c00704. Epub 2022 Jul 15. PMID: 35838760; PMCID: PMC9340769. |
| In vivo protocol: | TBD |
