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AST-1306

AST-1306 structure

CAS No:
897383-62-9
Formula:
C24H18ClFN4O2
Chemical Name:
AST-1306
Synonyms:
AST-1306;ALS 1306;N-[4-[[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]amino]quinazolin-6-yl]acrylamide;N-[4-[[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-propenamide
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

AST1306 is a selective, irreversible EGFR and ErbB2 inhibitor with IC50s of 0.5 and 3 nM, respectively.

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-quinazolinyl]-2-propenamide is a member of quinazolines.|Allitinib is an orally bioavailable and irreversible inhibitor of the receptor tyrosine kinases (RTKs) epidermal growth factor receptors 1 (EGFR; ErbB1) and 2 (ErbB2; HER2; HER-2), with potential antineoplastic activity. Upon oral administration, allitinib selectively and irreversibly binds to and inhibits the activity of both EGFR and HER2, which prevents signaling mediated by EGFR and HER2. This may inhibit tumor growth and angiogenesis in tumor cells overexpressing these RTKs. EGFR and HER2 are RTKs that belong to the EGFR superfamily; they play major roles in both tumor cell proliferation and tumor vascularization and are overexpressed in many cancer cell types.

AST-1306 Basic Attributes

Molecular Weight：

448.8767232

Exact Mass：

448.110229

UNII：

CX0M5RO7CY

DSSTox ID：

DTXSID30647124

NCI Thesaurus Code：

C179280

Characteristics

PSA：

76.1

XLogP3：

5.02

Density：

1.4±0.1 g/cm3

Boiling Point：

655℃

Flash Point：

350℃

Refractive Index：

1.700

Drug Information

MeSH Entry Terms：

allitinib

AST-1306 Use and Manufacturing

AST-1306 is a selective irreversible inhibitor of the epidermal growth factor receptor (EGFR) 1 and 2. Studies show that AST-1306 inhibited the enzymatic activities of wild-type EGF) and ErbB2 as well as EGFR resistant mutant in both cell-free and cell-based systems. AST-1306 was more effective in inhibiting tumors with ErbB2-overexpressing cells than EGFR-overexpressing tumor.

Computed Properties

Molecular Weight:448.9
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:448.1102317
Monoisotopic Mass:448.1102317
Topological Polar Surface Area:76.1
Heavy Atom Count:32
Complexity:641
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 897383-62-9

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AST-1306

CAS No.: 897383-62-9

Content: 0.98%

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