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AST 487

AST 487 structure

CAS No:
630124-46-8
Formula:
C26H30F3N7O2
Chemical Name:
AST 487
Synonyms:
AST 487;NVP-AST 487;1-{4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-(4-{[6-(methylamino)-4-pyrimidinyl]oxy}phenyl)urea;1-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea
Categories:
Organic Chemistry > Amides

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AST 487 Basic Attributes

Molecular Weight：

529.568

Exact Mass：

529.241

UNII：

W34UO2M4T6

DSSTox ID：

DTXSID70212239

Characteristics

PSA：

94.6

XLogP3：

3.8

Density：

1.341±0.06 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

NVP-AST487

AST 487 Use and Manufacturing

AST-487 is an inhibitor of RET (IC50 = 0.88 μM), FLT3 (Ki = 0.52 μM), KDR (IC50 = 0.17 μM), c-Abl (IC50 = 0.02 μM), and c-Kit (IC50 = 0.5 μM). It has been shown to inhibit RET autophosphorylation and activation of downstream effectors and to prevent the growth of human thyroid cancer cell lines with activating mutations of RET but not of lines without RET mutations. In xenografts of NIH3T3 cells expressing oncogenic RET and of the MTC cell line TT in nude mice, AST-487 dose dependently inhibited tumor growth. It also demonstrates antiproliferative effects on primary cells from acute myelocytic leukemia patients and on cell lines expressing FLT3-ITD or FLT3 kinase domain point mutants.[Cayman Chemical]

Computed Properties

Molecular Weight:529.6
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:529.24130771
Monoisotopic Mass:529.24130771
Topological Polar Surface Area:94.6
Heavy Atom Count:38
Complexity:730
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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