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AZD7451

CAT: 0013-GTR19209189-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209189-02Size:50 mg
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Description
Utatrectinib (AZD-7451) is a potent and selective oral Trk inhibitor, effectively blocking TrkC activation and its oncogenic signaling. It is utilized in cancer research, demonstrating activity in both in vitro cellular assays and in vivo tumor models for studying Trk-driven malignancies.
CAS Number
1079274-94-4
Field of Research
Signal Transduction
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
Storage Conditions
-20°C
Notes
For research use only.

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

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