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MedKoo Cat#: 205765 | Name: Brigatinib-analog
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Description:

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

Brigatinib-analog is an orally active, potent and selective anaplastic lymphoma kinase (ALK) and the epidermal growth factor receptor (EGFR) inhibitor. Brigatinib-analog is structurally related to Brigatinib (AP-26113). Brigatinib-analog binds to and inhibits ALK kinase and ALK fusion proteins as well as EGFR and mutant forms. This leads to the inhibition of ALK kinase and EGFR kinase, disrupts their signaling pathways and eventually inhibits tumor cell growth in susceptible tumor cells.

Chemical Structure

Brigatinib-analog
Brigatinib-analog
CAS#1197958-12-5 (analog)

Theoretical Analysis

MedKoo Cat#: 205765

Name: Brigatinib-analog

CAS#: 1197958-12-5 (analog)

Chemical Formula: C26H34ClN6O2P

Exact Mass: 528.2169

Molecular Weight: 529.01

Elemental Analysis: C, 59.03; H, 6.48; Cl, 6.70; N, 15.89; O, 6.05; P, 5.85

Price and Availability

Size Price Availability Quantity
10mg USD 90.00 Ready to ship
25mg USD 180.00 Ready to ship
50mg USD 250.00 Ready to ship
100mg USD 450.00 Ready to ship
200mg USD 750.00 Ready to ship
500mg USD 1,650.00 Ready to ship
1g USD 2,950.00 Ready to ship
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Related CAS #
1197958-12-5 (analog) 1197953-54-0
Synonym
AP26113-analog; AP-26113-analog; AP 26113-analog, Brigatinib-analog
IUPAC/Chemical Name
(2-((5-chloro-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide
InChi Key
OVDSPTSBIQCAIN-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
SMILES Code
CP(C)(C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCC(N(C)C)CC4)C=C3OC)=NC=C2Cl)=O
Appearance
white 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, not in water
Shelf Life
>2 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
Brigatinib-Analog was introduced to the research community due to wrong information published in the following well-known resources. the wrong information had been mislead many reagent vendors included MedKoo. The following resources have published a wrong structure for Brigatinib (AP-26113) 1. Some papers Such as Onco Targets Ther. 2014 Mar 5;7:375-85., http://www.ncbi.nlm.nih.gov/pubmed/24623980 ) 2. wikipedia (https://en.wikipedia.org/wiki/Brigatinib, last visited on 12/9/2015). 3. Sci-Finder Scholar Database: Before December 2015, Sci-Finder Scholar Database also wrongly listed CAS#1197958-12-5 as Brigatinib (AP26113). Now Sci-Finder Scholar Database has corrected. 4. Pubchem: https://pubchem.ncbi.nlm.nih.gov/compound/ap26113
Biological target:
ALK-IN-1 (Brigatinib analog) is an inhibitor of anaplastic lymphoma kinase(ALK), Patent US20140066406 A1.
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMSO 60.3 114.04
DMF 30.0 56.71
Ethanol 65.5 123.82
PBS (pH 7.2) 0.3 0.57
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 529.01 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:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Huber RM, Hansen KH, Paz-Ares Rodríguez L, West HL, Reckamp KL, Leighl NB, Tiseo M, Smit EF, Kim DW, Gettinger SN, Hochmair MJ, Kim SW, Langer CJ, Ahn MJ, Kim ES, Kerstein D, Groen HJM, Camidge DR. Brigatinib in Crizotinib-Refractory ALK+ Non-Small Cell Lung Cancer: 2-Year Follow-up on Systemic and Intracranial Outcomes in the Phase 2 ALTA Trial. J Thorac Oncol. 2019 Nov 19. pii: S1556-0864(19)33645-7. doi: 10.1016/j.jtho.2019.11.004. [Epub ahead of print] PubMed PMID: 31756496. 2: Sharma GG, Cortinovis D, Agustoni F, Arosio G, Villa M, Cordani N, Bidoli P, Bisson WH, Pagni F, Piazza R, Gambacorti-Passerini C, Mologni L. A Compound L1196M/G1202R ALK Mutation in a Patient with ALK-Positive Lung Cancer with Acquired Resistance to Brigatinib Also Confers Primary Resistance to Lorlatinib. J Thorac Oncol. 2019 Nov;14(11):e257-e259. doi: 10.1016/j.jtho.2019.06.028. PubMed PMID: 31668326. 3: Monzonís X, Arriola E. Early Onset Pulmonary Toxicity With Lorlatinib in a Patient With Previous Pulmonary Toxicity From Brigatinib. J Thorac Oncol. 2019 Nov;14(11):e247-e248. doi: 10.1016/j.jtho.2019.06.013. PubMed PMID: 31668321. 4: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012-. Available from http://www.ncbi.nlm.nih.gov/books/NBK548523/ PubMed PMID: 31643841. 5: Descourt R, Perol M, Rousseau-Bussac G, Planchard D, Mennecier B, Wislez M, Cortot A, Guisier F, Galland L, Dô P, Schott R, Dansin E, Arrondeau J, Auliac JB, Chouaid C. Brigatinib in patients with ALK-positive advanced non-small-cell lung cancer pretreated with sequential ALK inhibitors: A multicentric real-world study (BRIGALK study). Lung Cancer. 2019 Oct;136:109-114. doi: 10.1016/j.lungcan.2019.08.010. Epub 2019 Aug 14. PubMed PMID: 31491676. 6: Zhang Z, Gao W, Zhou L, Chen Y, Qin S, Zhang L, Liu J, He Y, Lei Y, Chen HN, Han J, Zhou ZG, Nice EC, Li C, Huang C, Wei X. Repurposing Brigatinib for the Treatment of Colorectal Cancer Based on Inhibition of ER-phagy. Theranostics. 2019 Jul 9;9(17):4878-4892. doi: 10.7150/thno.36254. eCollection 2019. PubMed PMID: 31410188; PubMed Central PMCID: PMC6691391. 7: Lenderking WR, Lin H, Speck RM, Zhu Y, Huang H, Huang J, Kerstein D, Langer CJ. Patient-reported outcomes and quality of life in advanced ALK+ non-small-cell lung cancer trial of brigatinib (ALTA). Future Oncol. 2019 Aug;15(24):2841-2855. doi: 10.2217/fon-2019-0185. Epub 2019 Jul 31. PubMed PMID: 31364872. 8: Hamilton G, Hochmair MJ. An evaluation of brigatinib as a promising treatment option for non-small cell lung cancer. Expert Opin Pharmacother. 2019 Sep;20(13):1551-1561. doi: 10.1080/14656566.2019.1643839. Epub 2019 Jul 22. Review. PubMed PMID: 31328968. 9: Morgado F, Calvão J, Barata F, Gonçalo M. Phototoxic reaction to brigatinib - a new photosensitizing drug. J Eur Acad Dermatol Venereol. 2019 Dec;33(12):e491-e492. doi: 10.1111/jdv.15818. Epub 2019 Jul 30. PubMed PMID: 31325397. 10: Hochmair M, Weinlinger C, Schwab S, Naber J, Setinek U, Krenbek D, Urban MH, Fabikan H, Watzka S, Koger R, Fazekas A, Bitterlich E, Valipour A, Burghuber OC. Treatment of ALK-rearranged non-small-cell lung cancer with brigatinib as second or later lines: real-world observations from a single institution. Anticancer Drugs. 2019 Aug;30(7):e0787. doi: 10.1097/CAD.0000000000000787. PubMed PMID: 31305295. 11: Tugnait M, Gupta N, Hanley MJ, Sonnichsen D, Kerstein D, Dorer DJ, Venkatakrishnan K, Narasimhan N. Effects of Strong CYP2C8 or CYP3A Inhibition and CYP3A Induction on the Pharmacokinetics of Brigatinib, an Oral Anaplastic Lymphoma Kinase Inhibitor, in Healthy Volunteers. Clin Pharmacol Drug Dev. 2019 Jul 9. doi: 10.1002/cpdd.723. [Epub ahead of print] PubMed PMID: 31287236. 12: Gaye E, Geier M, Bore P, Guilloïque M, Lucia F, Quéré G, Gouva S, Robinet G, Descourt R. Intra-cranial efficacy of brigatinib in an ALK-positive non-small cell lung cancer patient presenting leptomeningeal carcinomatosis. Lung Cancer. 2019 Jul;133:1-3. doi: 10.1016/j.lungcan.2019.04.013. Epub 2019 Apr 20. PubMed PMID: 31200813. 13: Kawata AK, Lenderking WR, Eseyin OR, Kerstein D, Huang J, Huang H, Zhang P, Lin HM. Converting EORTC QLQ-C30 scores to utility scores in the brigatinib ALTA study. J Med Econ. 2019 Sep;22(9):924-935. doi: 10.1080/13696998.2019.1624080. Epub 2019 Jun 25. PubMed PMID: 31125274. 14: Umbela S, Ghacha S, Matuknauth R, Gause S, Joshee S, Deshmukh RR. Brigatinib: New-generation ALK inhibitor for nonsmall cell lung cancer. Curr Probl Cancer. 2019 Dec;43(6):100477. doi: 10.1016/j.currproblcancer.2019.03.005. Epub 2019 May 6. Review. PubMed PMID: 31109722. 15: Camidge DR, Pabani A, Miller RM, Rizvi NA, Bazhenova L. Management Strategies for Early-Onset Pulmonary Events Associated with Brigatinib. J Thorac Oncol. 2019 Sep;14(9):1547-1555. doi: 10.1016/j.jtho.2019.04.028. Epub 2019 May 18. PubMed PMID: 31108247. 16: Hochmair M, Weinlinger C, Prosch H. Intracranial remission with brigatinib rechallenge as fifth-line ALK inhibition therapy in a lung cancer patient. Anticancer Drugs. 2019 Nov;30(10):1058-1060. doi: 10.1097/CAD.0000000000000800. PubMed PMID: 31033499. 17: Mehlman C, Chaabane N, Lacave R, Kerrou K, Ruppert AM, Cadranel J, Fallet V. Ceritinib ALK T1151R Resistance Mutation in Lung Cancer With Initial Response to Brigatinib. J Thorac Oncol. 2019 May;14(5):e95-e96. doi: 10.1016/j.jtho.2018.12.036. PubMed PMID: 31027750. 18: Bender L, Meyer G, Quoix E, Mennecier B. Ceritinib-related interstitial lung disease improving after treatment cessation without recurrence under either crizotinib or brigatinib: a case report. Ann Transl Med. 2019 Mar;7(5):106. doi: 10.21037/atm.2019.01.24. PubMed PMID: 31019956; PubMed Central PMCID: PMC6462648. 19: Melosky B, Cheema P, Liu G. Brigatinib is another treatment option for patients diagnosed with advanced ALK-positive non-small-cell lung cancer who are treatment-naïve or who have progressed on or are intolerant to crizotinib. Curr Oncol. 2019 Feb;26(1):e119-e120. doi: 10.3747/co.26.4809. Epub 2019 Feb 1. PubMed PMID: 30853819; PubMed Central PMCID: PMC6380641. 20: Ali R, Arshad J, Palacio S, Mudad R. Brigatinib for ALK-positive metastatic non-small-cell lung cancer: design, development and place in therapy. Drug Des Devel Ther. 2019 Feb 8;13:569-580. doi: 10.2147/DDDT.S147499. eCollection 2019. Review. PubMed PMID: 30804663; PubMed Central PMCID: PMC6372006.