AST5902 | CAS#2412155-74-7 | Metabolite

MedKoo Cat#: 25391 | Name: AST5902

Description:

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

AST5902 is the active metabolite of Alflutinib.

Chemical Structure

AST5902

CAS#2412155-74-7

Theoretical Analysis

MedKoo Cat#: 25391

Name: AST5902

CAS#: 2412155-74-7

Chemical Formula: C27H29F3N8O2

Exact Mass: 554.2366

Molecular Weight: 554.58

Elemental Analysis: C, 58.48; H, 5.27; F, 10.28; N, 20.21; O, 5.77

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

AST-5902, ast5902, ast-5902

IUPAC/Chemical Name

N-[5-[[4-(1-Methylindol-3-yl)pyrimidin-2-yl]amino]-2-[methyl-[2-(methylamino)ethyl]amino]-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]prop-2-enamide

InChi Key

OYVNKZAYJFLKCX-UHFFFAOYSA-N

InChi Code

InChI=1S/C27H29F3N8O2/c1-5-23(39)33-20-14-21(25(40-16-27(28,29)30)36-24(20)37(3)13-12-31-2)35-26-32-11-10-19(34-26)18-15-38(4)22-9-7-6-8-17(18)22/h5-11,14-15,31H,1,12-13,16H2,2-4H3,(H,33,39)(H,32,34,35)

SMILES Code

C=CC(NC1=CC(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)=C(OCC(F)(F)F)N=C1N(C)CCNC)=O

Appearance

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 554.58 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

1: Zhu YT, Zhang YF, Jiang JF, Yang Y, Guo LX, Bao JJ, Zhong DF. Effects of rifampicin on the pharmacokinetics of alflutinib, a selective third-generation EGFR kinase inhibitor, and its metabolite AST5902 in healthy volunteers. Invest New Drugs. 2021 Aug;39(4):1011-1018. doi: 10.1007/s10637-021-01071-z. Epub 2021 Jan 27. PMID: 33506323. 2: Liu XY, Guo ZT, Chen ZD, Zhang YF, Zhou JL, Jiang Y, Zhao QY, Diao XX, Zhong DF. Alflutinib (AST2818), primarily metabolized by CYP3A4, is a potent CYP3A4 inducer. Acta Pharmacol Sin. 2020 Oct;41(10):1366-1376. doi: 10.1038/s41401-020-0389-3. Epub 2020 Mar 31. PMID: 32235864; PMCID: PMC7608132. 3: Liu X, Li W, Zhang Y, Jiang Y, Zhao Q, Zhong D. Simultaneous determination of alflutinib and its active metabolite in human plasma using liquid chromatography-tandem mass spectrometry. J Pharm Biomed Anal. 2019 Nov 30;176:112735. doi: 10.1016/j.jpba.2019.06.032. Epub 2019 Jul 16. PMID: 31394305. 4: Heng J, Tang Q, Chen X, Bao J, Deng J, Chen Y, Zhao J, Zhu S, Liu X, Yang F, Jiang Y, Yang N, Li K. Evaluation of the pharmacokinetic effects of itraconazole on alflutinib (AST2818): an open-label, single-center, single-sequence, two- period randomized study in healthy volunteers. Eur J Pharm Sci. 2021 Jul 1;162:105815. doi: 10.1016/j.ejps.2021.105815. Epub 2021 Mar 23. Erratum in: Eur J Pharm Sci. 2022 Apr 1;171:106143. PMID: 33771716. 5: Zhu S, Deng J, Tang Q, Heng J, Qu J, Chen Y, Chen X, Yang N, Liu X, Li K. A Randomized, Open, Single-Centre, Crossed Study of the Effect of Food on the Pharmacokinetics of One Oral Dose of Alflutinib Mesylate Tablets (AST2818) in Healthy Male Subjects. Iran J Pharm Res. 2020 Summer;19(3):24-33. doi: 10.22037/ijpr.2020.113112.14116. PMID: 33680007; PMCID: PMC7757978. 6: Liu X, Feng D, Zheng M, Cui Y, Zhong D. Characterization of covalent binding of tyrosine kinase inhibitors to plasma proteins. Drug Metab Pharmacokinet. 2020 Oct;35(5):456-465. doi: 10.1016/j.dmpk.2020.07.002. Epub 2020 Jul 24. PMID: 32847720. 7: Meng J, Zhang H, Bao JJ, Chen ZD, Liu XY, Zhang YF, Jiang Y, Miao LY, Zhong DF. Metabolic disposition of the EGFR covalent inhibitor furmonertinib in humans. Acta Pharmacol Sin. 2022 Feb;43(2):494-503. doi: 10.1038/s41401-021-00667-8. Epub 2021 Apr 29. PMID: 33927359; PMCID: PMC8791928. 8: Zou HX, Zhang YF, Zhong DF, Jiang Y, Liu F, Zhao QY, Zuo Z, Zhang YF, Yan XY. Effect of autoinduction and food on the pharmacokinetics of furmonertinib and its active metabolite characterized by a population pharmacokinetic model. Acta Pharmacol Sin. 2022 Jul;43(7):1865-1874. doi: 10.1038/s41401-021-00798-y. Epub 2021 Nov 17. PMID: 34789919; PMCID: PMC9252999. 9: Shi Y, Zhang S, Hu X, Feng J, Ma Z, Zhou J, Yang N, Wu L, Liao W, Zhong D, Han X, Wang Z, Zhang X, Qin S, Ying K, Feng J, Fang J, Liu L, Jiang Y. Safety, Clinical Activity, and Pharmacokinetics of Alflutinib (AST2818) in Patients With Advanced NSCLC With EGFR T790M Mutation. J Thorac Oncol. 2020 Jun;15(6):1015-1026. doi: 10.1016/j.jtho.2020.01.010. Epub 2020 Jan 30. Erratum in: J Thorac Oncol. 2020 Oct 16;: PMID: 32007598.