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

Introduction：Basic information about CAS 1050500-29-2|AST-1306 (TsOH), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. AST-1306 (TsOH) BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	AST-1306 (TsOH)
CAS Number	1050500-29-2	Molecular Weight	621.078
Density	/	Boiling Point	/
Molecular Formula	C₃₁H₂₆ClFN₄O₅S	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide,4-methylbenzenesulfonic acid
Synonym	More Synonyms

AST-1306 (TsOH) BiologicalActivity

Description	Allitinib tosylate (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/L858RAllitinib functions as an irreversible inhibitor, most likely through covalent interaction with Cys797 and Cys805 in the catalytic domains of EGFR and ErbB2, respectively. Further studies showed that Allitinib inactivated pathways downstream of these receptors and thereby inhibited the proliferation of a panel of cancer cell lines. Allitinib is a potent(pM) and selective inhibitor of EGFR and ErbB4 (IC50 = 500pM and 800 pM, respectively). AST-1306 blocks phosphorylation of EGFR and also prevents downstream pathways. Allitinib also dose-dependently inhibits EGF-induced EGFR phosphorylation in the A549 cancer cell line.
Related Catalog	Research Areas >>Cancer
Target	EGFR:0.5 nM (IC50) ErbB2:3 nM (IC50) ErbB1
References	[1]. Xie H, Lin L, Tong L et al. AST1306, a novel irreversible inhibitor of the epidermal growth factor receptor 1 and 2, exhibits antitumor activity both in vitro and in vivo. PLoS One. 2011;6(7):e21487.

Chemical & Physical Properties

Molecular Formula	C₃₁H₂₆ClFN₄O₅S
Molecular Weight	621.078
Exact Mass	620.129639
PSA	142.38000
LogP	8.91440
InChIKey	ZMUKJEHWLJBODV-UHFFFAOYSA-N
SMILES	C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1.Cc1ccc(S(=O)(=O)O)cc1

Safety Information

Hazard Codes	Xi

Synonyms

AST-6

CS-1209

AST-1306 TsOH

2-Propenamide, N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:1)

cc-284

N-[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-6-quinazolinyl]acrylamide 4-methylbenzenesulfonate (1:1)

S1471_Selleck

AST-1306 (TsOH)

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