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Adrixetinib

CAT: 0931-T69651-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69651-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2394874-66-7
Target
Others, TAM Receptor, c-Fms, c-Met/HGFR
Related Pathways
Others, Tyrosine Kinase/Adaptors
Bioactivity
Adrixetinib, an inhibitor of protein tyrosine kinase, exhibits antineoplastic activity.
Smiles
O(C=1C2=C(C=C(OC)C(OC)=C2)N=CC1)C=3C=CC(NC(=O)C=4C(OCC(F)(F)F)=CN(CCC)N4)=NC3
Molecular Formula
C25H24F3N5O5
Molecular Weight
531.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adrixetinib

Adrixetinib is a small molecule drug. The usage of the INN stem '-tinib' in the name indicates that Adrixetinib is a tyrosine kinase inhibitor. Adrixetinib has a monoisotopic molecular weight of 531.17 Da.

CAS Number2394874-66-7
PubChem CID156440741
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-propyl-4-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide
Molecular FormulaC25H24F3N5O5
Molecular Weight531.5
XLogP4.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity765
SMILES
CCCN1C=C(C(=N1)C(=O)NC2=NC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)OCC(F)(F)F
InChI
InChI=1S/C25H24F3N5O5/c1-4-9-33-13-21(37-14-25(26,27)28)23(32-33)24(34)31-22-6-5-15(12-30-22)38-18-7-8-29-17-11-20(36-3)19(35-2)10-16(17)18/h5-8,10-13H,4,9,14H2,1-3H3,(H,30,31,34)
InChIKey
BWUUJXXFCSYLFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adrixetinib
CAS: 2394874-66-7
CID: 156440741
Formula: C25H24F3N5O5
MW: 531.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight531.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass531.17295337
Monoisotopic Mass531.17295337
Topological Polar Surface Area110 Ų
Heavy Atom Count38
Formal Charge0
Complexity765
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