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Ficonalkib

CAT: 0607-BA8789-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA8789-5.1Size: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
2233574-95-1
Form
A solid
Molecular Formula
C29H39N7O3S
Molecular Weight
565.73
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ficonalkib

Ficonalkib is an orally bioavailable, third-generation inhibitor of the receptor tyrosine kinase (RTK) anaplastic lymphoma kinase (ALK), with potential antineoplastic activity. Upon oral administration, ficonalkib binds to and inhibits ALK wild-type tyrosine kinase and numerous ALK mutations, including acquired resistance mutations. Inhibition of ALK leads to the disruption of ALK-mediated signaling and the inhibition of cell growth in ALK-expressing tumor cells. ALK belongs to the insulin receptor superfamily and plays an important role in nervous system development. ALK dysregulation and gene rearrangements are associated with a variety of tumor cell types.

CAS Number2233574-95-1
PubChem CID135211735
IUPAC Name2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Molecular FormulaC29H39N7O3S
Molecular Weight565.7
XLogP5.6
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity908
SMILES
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC3=C2CCN3)NC4=C(C=C(C=C4)N5CCC(CC5)N(C)C)OC
InChI
InChI=1S/C29H39N7O3S/c1-19(2)40(37,38)26-9-7-6-8-24(26)31-28-22-12-15-30-27(22)33-29(34-28)32-23-11-10-21(18-25(23)39-5)36-16-13-20(14-17-36)35(3)4/h6-11,18-20H,12-17H2,1-5H3,(H3,30,31,32,33,34)
InChIKey
LDTJJGGYLQQRSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ficonalkib
CAS: 2233574-95-1
CID: 135211735
Formula: C29H39N7O3S
MW: 565.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.7
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass565.28350931
Monoisotopic Mass565.28350931
Topological Polar Surface Area120 Ų
Heavy Atom Count40
Formal Charge0
Complexity908
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
MBS5815375Ficonalkib

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