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1050500-29-2 (AST-1306 (TsOH))

1

Identification

AST-1306 (TsOH) AST-1306 (TsOH)
Name AST-1306 (TsOH)
Formula C31H26ClFN4O5S
MW 621.08
CAS No. 1050500-29-2
EINECS
Smiles FC1=CC=CC(COC2=C(Cl)C=C(NC3=NC=NC4=C3C=C(NC(C=C)=O)C=C4)C=C2)=C1.O=S(C5=CC=C(C)C=C5)(O)=O
Synonyms AST-1306 (p-Toluenesulfonic acid);AST1306 (p-Toluenesulfonic acid);AST 1306 (p-Toluenesulfonic acid); N-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)acrylamide 4-methylbenzenesulfonate
InChI InChI=1S/C24H18ClFN4O2.C7H8O3S/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30);2-5H,1H3,(H,8,9,10)
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Introduction

AST-1306 TsOH is a novel irreversible inhibitor of EGFR and ErbB2 with IC50 of 0.5 nM and 3 nM, also effective in mutation EGFR T790M/L858R, more potent to ErbB2-overexpressing cells, 3000-fold selective for ErbB family than other kinases. IC50 value: 0.5/3 nM (EGFR/Erb2)[1] Target: EGFR/Erb2;Mutant EGFR T790M/L858R AST-1306 functions as an irreversible inhibitor, most likely through covalent interaction with Cys797 and Cys805 in the catalytic domains of EGFR and ErbB2, respectively.

Background Information

AST-1306 is a novel irreversible inhibitor of EGFR and ErbB2 with IC50 of 0.5 nM and 3 nM, also effective in mutation EGFR T790M/L858R, more potent to ErbB2-overexpressing cells, 3000-fold selective for ErbB family than other kinases, ......by BOC Sciences
AST-1306 is a novel irreversible inhibitor of EGFR and ErbB2 with IC50 of 0.5 nM and 3 nM, also effective in mutation EGFR T790M/L858R, more potent to ErbB2-overexpressing cells, 3000-fold selective for ErbB family than other kinases. ......by Selleck Chemicals LLC
AST-1306 is a novel irreversible inhibitor of EGFR and ErbB2 with IC50 of 0.5 nM and 3 nM, also effective in mutation EGFR T790M/L858R, more potent to ErbB2-overexpressing cells, 3000-fold selective for ErbB family than other kinases, ......by Target Molecule Corp.
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Protocol(Only for Reference)

Cell Experiment

Cell lines Calu-3 and A-549 cell lines
Conditions 0.001-1 μM; 72 hours
Method Cell (including Calu-3, A-549 cell line et al.) proliferation is evaluated using the SRB (Sulforhodamine B) assay. Briefly, cells are seeded into 96-well plates and grown for 24 hours. The cells are then treated with increasing concentrations of AST-1306 and grown for a further 72 hours. The medium remains unchanged until the completion of the experiment. The cells are then fixed with 10% precooled trichloroacetic acid (TCA) for 1 hour at 4 °C and stained for 15 min at room temperature with 100 μL of 4 mg/mL SRB solution in 1% acetic acid. The SRB is then removed, and the cells are quickly rinsed five times with 1% acetic acid. After cells are air-dried, protein-bound dye is dissolved in 150 μL of 10 mM Tris base for 5 min and measured at 515 nm using a multiwell spectrophotometer. The inhibition rate on cell proliferation is calculated as (1 - A515 treated/A515 control) × 100%. The IC50 value is obtained by the Logit method and is determined from the results of at least 3 independent tests.
Source Selleck Chemicals LLC

Animal Experiment

Animal Models Nude mice bearing SK-OV-3 xenograft tumors and SK-OV-3FVB-2/Nneu transgenic mouse
Dosage 25 mg/kg, 50 mg/kg and 100 mg/kg
Formulation 0.5% hydroxypropyl methylcellulose (HPMC), grinding with agate morta
Administration p.o., twice daily
Source Selleck Chemicals LLC
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Physical and Chemical Properties

Appearance:yellow solid EBNumber:EB000017438

Storage condition

Solubility

DMSO by MedChemexpress Co., Ltd.
(25°C) * In vitro DMSO 124 mg/mL (199.65 mM); Water<1 mg/mL (<1 mM); Ethanol<1 mg/mL (<1 mM); In vivo 0.5% hydroxyethyl cellulose30 mg/mL by Selleck Chemicals LLC
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Mechanism and Indication

Signaling Pathways JAK/STAT Signaling Protein Tyrosine Kinase/RTK
Target EGFR
Research Area Cancer
Indications
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Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
AST-1306 (TsOH) - Phase 1 Clinical
AST-1306 (TsOH) - No Development Reported
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Safety Data of AST-1306 (TsOH)

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Spectral Information

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Suppliers List

Company Price and Availability Country/Region
AbMole BioScience 5mg/USD220(In stock) USA
Aladdin 5mg/RMB1699();50mg/RMB7999() China
Apexbio Technology LLC 5mg/USD165(In stock) USA
Axon Medchem BV 5mg/USD150(In stock) Netherlands
BOC Sciences
Biochempartner Co., Ltd China
CHEMSCENE, LLC 5mg/USD180();10mg/USD288() USA
DC Chemicals 100mg/USD750(In stock) China
MedChemexpress Co., Ltd. 5mg/USD180();10mg/USD288() USA
Santa Cruz Biotechnology, Inc. 5mg/USD420() USA
Selleck Chemicals LLC 5mg/USD270(In stock);10mg/USD370(In stock);10mM/1mLIn DMSO/USD670(In stock);50mg/USD1070(In stock);200mg/USD2470(In stock) USA
Shanghai Haoyuan Chemexpress Co., Ltd. 5mg/USD180();10mg/USD288() China
Target Molecule Corp. 2mg/USD120();5mg/USD145();10mg/USD228();25mg/USD418();50mg/USD698() USA
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Related Products

Other Forms of 1050500-29-2

Name CAS No Formula MW
AST-1306 897383-62-9 C24H18ClFN4O2 448.88

Recommended Compounds in EGFR

Name CAS No Formula MW
Ginsenoside Rh2 78214-33-2 C36H62O8 622.87
Mutated EGFR-IN-1 1421372-66-8 C25H31N7O 445.56
AZD-9291 (mesylate) 1421373-66-1 C29H37N7O5S 595.71
Mutant EGFR inhibitor 1421373-62-7 C27H30ClN7O2 520.03
AZD-9291 1421373-65-0 C28H33N7O2 499.61
WHI-P180 (hydrochloride) 153437-55-9 C16H16ClN3O3 333.77
WHI-P180 211555-08-7 C16H15N3O3 297.31
Gefitinib (hydrochloride) 184475-55-6 C22H25Cl2FN4O3 483.36
Erlotinib (mesylate) 248594-19-6 C23H27N3O7S 489.54
BGB-102 807640-87-5 C22H25BrN4O2 457.36
Poziotinib 1092364-38-9 C23H21Cl2FN4O3 491.34
CO-1686 (hydrobromide) 1446700-26-0 C27H29BrF3N7O3 636.46
CO-1686 1374640-70-6 C27H28F3N7O3 555.55
CNX-2006 1375465-09-0 C26H27F4N7O2 545.53
PD168393 194423-15-9 C17H13BrN4O 369.2153
AG 18 118409-57-7 C10H6N2O2 186.17
Afatinib (dimaleate) 850140-73-7 C32H33ClFN5O11 718.08
Chrysophanol 481-74-3 C15H10O4 254.2375
AG-1478 153436-53-4 C16H14ClN3O2 315.75
Mubritinib 366017-09-6 C25H23F3N4O2 468.47

Recommended Compounds in Same Indication

Name CAS No Formula MW
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Route of Synthesis

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References

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More Information

AST-1306 (TsOH)

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