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AST 487

CAT: 0607-A3194-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3194-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RET kinase inhibitor
CAS Number
630124-46-8
Product Name Alternative
1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
Sequence
NVP-AST 487
Field of Research
Tyrosine Kinase FLT3
Purity
0.9929
Solubility
≥26.5 mg/mL in DMSO; insoluble in H2O; ≥51.2 mg/mL in EtOH
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
Molecular Formula
C26H30F3N7O2
Molecular Weight
529.56
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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