Vepafestinib

CAT: 0607-BA8998-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA8998-5.1Size:1 mL (10 mM in DMSO)

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CAS Number

2129515-96-2

Form

A solid

Molecular Formula

C26H30N6O3

Molecular Weight

474.55

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Vepafestinib

Vepafestinib is an orally bioavailable selective inhibitor of wild-type, fusion products and mutated forms of the proto-oncogene receptor tyrosine kinase rearranged during transfection (RET), with potential antineoplastic activity. Upon oral administration, vepafestinib selectively binds to and inhibits the activity of RET. This results in an inhibition of cell growth of tumors cells that exhibit increased RET activity. RET overexpression, activating mutations, and fusions result in the upregulation and/or overactivation of RET tyrosine kinase activity in various cancer cell types; dysregulation of RET activity plays a key role in the development and progression of these cancers.

CAS Number	2129515-96-2
PubChem CID	134164132
IUPAC Name	4-amino-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)-6-(3-morpholin-4-ylprop-1-ynyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Molecular Formula	C26H30N6O3
Molecular Weight	474.6
XLogP	1.3
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	808

SMILES

CC1(CC1)N2C(=C(C3=C(N=CN=C32)N)C(=O)NC4=CC=C(C=C4)COC)C#CCN5CCOCC5

InChI

InChI=1S/C26H30N6O3/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)

InChIKey

SFXVRNLGOSAWIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2129515-96-2

CID: 134164132

Formula: C26H30N6O3

MW: 474.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	474.6
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	474.23793884
Monoisotopic Mass	474.23793884
Topological Polar Surface Area	108 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	808
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

Alternative Products

Catalog	Name
GTR19243469-01	Vepafestinib

Vepafestinib

Chemical Information

Alternative Products

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