BLU-945
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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.

Chemical Structure

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BLU-945
CAS# 2660250-10-0
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 207179
Name: BLU-945
CAS#: 2660250-10-0
Chemical Formula: C28H37FN6O3S
Exact Mass: 556.26
Molecular Weight: 556.701
Elemental Analysis: C, 60.41; H, 6.70; F, 3.41; N, 15.10; O, 8.62; S, 5.76

Price and Availability

Size Price Availability Quantity
5mg USD 150 Ready to ship
10mg USD 250 Ready to Ship
25mg USD 450 Ready to Ship
50mg USD 750 Ready to Ship
100mg USD 1250 Ready to Ship
200mg USD 1950 Ready to Ship
500mg USD 2850 Ready to ship
1g USD 3650 Ready to Ship
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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

More Info:

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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 112.5 202.08

Preparing Stock Solutions

The following data is based on the product molecular weight 556.70 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
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

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