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AST 487

CAT: 0013-GTR19160285-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160285-03Size:5 mg
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Description
AST487, also known as NVP- AST487, is a RET kinase inhibitor/FLT3 inhibitor. The RET kinase has emerged as a promising target for the therapy of medullary thyroid cancers (MTC) and of a subset of papillary thyroid cancers. NVP- AST487 has an IC (50) of 0.88 mumol/L on RET kinase, inhibits RET autophosphorylation and activation of downstream effectors, and potently inhibited the growth of human thyroid cancer cell lines with activating mutations of RET but not of lines without RET mutations. NVP- AST487 induced a dose-dependent growth inhibition of xenografts of NIH3T3 cells expressing oncogenic RET, and of the MTC cell line TT in nude mice. NVP- AST487 inhibited calcitonin gene expression in vitro in TT cells, in part, through decreased gene transcription.
CAS Number
630124-46-8
Product Name Alternative
NVPAST487 | AST 487
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 100 mg/mL; 188.84 mM
Smiles
CNc1cc (Oc2ccc (NC (=O) Nc3ccc (CN4CCN (CC) CC4) c (C (F) (F) F) c3) cc2) ncn1
Molecular Formula
C26H30F3N7O2
Molecular Weight
529.56
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1- (4- ((4-ethylpiperazin-1-yl) methyl) -3- (trifluoromethyl) phenyl) -3- (4- ((6- (methylamino) pyrimidin-4-yl) oxy) phenyl) urea

Chemical Information

Ast-487

antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells

CAS Number630124-46-8
PubChem CID11409972
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
Molecular FormulaC26H30F3N7O2
Molecular Weight529.6
XLogP3.8
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity730
SMILES
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC)C(F)(F)F
InChI
InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
InChIKey
ODPGGGTTYSGTGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ast-487
CAS: 630124-46-8
CID: 11409972
Formula: C26H30F3N7O2
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass529.24130771
Monoisotopic Mass529.24130771
Topological Polar Surface Area94.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity730
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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