AST 487

CAT: 0931-T4053-04Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T4053-04Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

630124-46-8

Target

FLT, VEGFR, c-RET, c-Kit, Bcr-Abl

Related Pathways

Tyrosine Kinase/Adaptors, Cytoskeletal Signaling, Apoptosis, Angiogenesis

Purity

0.9956

Bioactivity

AST 487 (NVP-AST 487) is a RET kinase inhibitor, inhibiting RET autophosphorylation and activation of downstream effectors. It also can inhibit Flt-3.

Smiles

C(C1=C(C(F)(F)F)C=C(NC(NC2=CC=C(OC=3C=C(NC)N=CN3)C=C2)=O)C=C1)N4CCN(CC)CC4

Molecular Formula

C26H30F3N7O2

Molecular Weight

529.56

Shipping Conditions

Ice Packs

Storage Temperature

-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 Number	630124-46-8
PubChem CID	11409972
IUPAC Name	1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
Molecular Formula	C26H30F3N7O2
Molecular Weight	529.6
XLogP	3.8
Topological Polar Surface Area	94.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	730

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

CAS: 630124-46-8

CID: 11409972

Formula: C26H30F3N7O2

MW: 529.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
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	94.7 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	730
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T22477-01	(±) -AMG 487
T34235	R 487
T10297L-01	AMG 487
T8975-01	PSB-SB-487
T77717-01	AST 7062601
T10297-01	AMG 487 (S-enantiomer)
TN7062L-01	Bufotenidine hydrochloride (487-91-2 Free base)
T9682-01	AZD-4877
T34367-01	RO116-4875/608

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AST 487

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