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Utatrectinib

CAT: 0931-T71484-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T71484-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1079274-94-4
Target
Others, Trk receptor
Related Pathways
Others, Tyrosine Kinase/Adaptors
Bioactivity
Utatrectinib (AZD-7451) is a potent, orally active, and selective Trk inhibitor that effectively inhibits TrkC activation and associated tumorigenic behaviors.
Smiles
N([C@@H](C)C=1N=CC(F)=CN1)C=2N=C3N(C=NC3=CC2)C=4C=C(OC(C)C)NN4
Molecular Formula
C18H19FN8O
Molecular Weight
382.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Utatrectinib

Utatrectinib is a small molecule drug. The usage of the INN stem '-trectinib' in the name indicates that Utatrectinib is a tropomyosin receptor kinase (TRK) inhibitor. Utatrectinib is under investigation in clinical trial NCT01468324 (AZD7451 for Recurrent Gliomas). Utatrectinib has a monoisotopic molecular weight of 382.17 Da.

CAS Number1079274-94-4
PubChem CID25115967
IUPAC NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
Molecular FormulaC18H19FN8O
Molecular Weight382.4
XLogP2.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity506
SMILES
C[C@@H](C1=NC=C(C=N1)F)NC2=NC3=C(C=C2)N=CN3C4=CC(=NN4)OC(C)C
InChI
InChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-13-4-5-14(24-18(13)27)23-11(3)17-20-7-12(19)8-21-17/h4-11H,1-3H3,(H,23,24)(H,25,26)/t11-/m0/s1
InChIKey
AYOOGWWGECJQPI-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Utatrectinib
CAS: 1079274-94-4
CID: 25115967
Formula: C18H19FN8O
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass382.16658542
Monoisotopic Mass382.16658542
Topological Polar Surface Area106 Ų
Heavy Atom Count28
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8582-10Utatrectinib

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