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M4205

CAT: 0127-BUP07639-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07639-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2590556-80-0
Purity
=98%
Smiles
Cn1cc(cn1)-c1ccc(CNc2cc(ncn2)-c2cnc3cc(OCCCN4CCCC4)ccn23)cc1

Chemical Information

Idrx-42

Velzatinib is an orally bioavailable small molecule inhibitor of multiple mutated forms of mast/stem cell factor receptor KIT (c-Kit; SCFR), with potential antineoplastic activity. Upon oral administration, velzatinib targets, binds to and inhibits specific c-Kit mutants. This may inhibit tumor cell proliferation in cancer cell types that overexpress these c-Kit mutations. c-Kit, a transmembrane protein and receptor tyrosine kinase (RTK) overexpressed in various solid tumors and hematological malignancies, plays a key role in the regulation of cell differentiation and proliferation. Mutant forms of c-Kit are often associated with tumor chemoresistance.

CAS Number2590556-80-0
PubChem CID155587867
IUPAC NameN-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
Molecular FormulaC29H32N8O
Molecular Weight508.6
XLogP4.3
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity715
SMILES
CN1C=C(C=N1)C2=CC=C(C=C2)CNC3=NC=NC(=C3)C4=CN=C5N4C=CC(=C5)OCCCN6CCCC6
InChI
InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)
InChIKey
LVMAULGVWBINFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Idrx-42
CAS: 2590556-80-0
CID: 155587867
Formula: C29H32N8O
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass508.26990767
Monoisotopic Mass508.26990767
Topological Polar Surface Area85.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity715
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

Alternative Products

CatalogName
BA8866-5.1M4205
C14524-5mgM4205 (IDRX-42)

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