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TRK II-IN-1

CAT: 0013-GTR19212448-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212448-01Size:25 mg
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Description
TRK II-IN-1 is a potent type II pan-TRK inhibitor with additional activity against FLT3 and RET. It is a valuable chemical probe for investigating TRK-driven oncogenesis in both cellular and animal models, aiding in the study of resistance mechanisms and targeted therapy development.
CAS Number
2904690-41-9
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Smiles
CN1CCN (CC1) CC2=C (C=C (C=C2) NC (=O) [C@@H]3CCN (C3) C4=NN5C (=NC=C5C6=CC=CC=N6) C=C4) C (F) (F) F
Molecular Formula
C29H31F3N8O
Molecular Weight
564.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trk II-IN-1
CAS Number2904690-41-9
PubChem CID165177995
IUPAC Name(3R)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxamide
Molecular FormulaC29H31F3N8O
Molecular Weight564.6
XLogP2.9
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity887
SMILES
CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)[C@@H]3CCN(C3)C4=NN5C(=NC=C5C6=CC=CC=N6)C=C4)C(F)(F)F
InChI
InChI=1S/C29H31F3N8O/c1-37-12-14-38(15-13-37)18-20-5-6-22(16-23(20)29(30,31)32)35-28(41)21-9-11-39(19-21)27-8-7-26-34-17-25(40(26)36-27)24-4-2-3-10-33-24/h2-8,10,16-17,21H,9,11-15,18-19H2,1H3,(H,35,41)/t21-/m1/s1
InChIKey
WYCSRUVPJUYDGP-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Trk II-IN-1
CAS: 2904690-41-9
CID: 165177995
Formula: C29H31F3N8O
MW: 564.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.6
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass564.25729213
Monoisotopic Mass564.25729213
Topological Polar Surface Area81.9 Ų
Heavy Atom Count41
Formal Charge0
Complexity887
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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