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GNF-8625

CAT: 0013-GTR19208114-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208114-01Size:25 mg
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Description
GNE-8525 is a potent and selective pan-TRK inhibitor, demonstrating in vitro antiproliferative activity and in vivo efficacy in xenograft models. It is a valuable research tool for studying TRK-driven oncogenesis in cancers such as colorectal, thyroid, and glioblastoma, where TRK fusions are key drivers.
CAS Number
1196546-33-4
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
FC=1C=C ([C@@H]2N (C3=NN4C (=CN=C4C=C3) C=5N=C (C=CC5) C=6C=C (N=CC6) N7CCC (O) CC7) CCC2) C=CC1
Molecular Formula
C31H30FN7O
Molecular Weight
535.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
CAS Number1196546-33-4
PubChem CID58335500
IUPAC Name1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
Molecular FormulaC31H30FN7O
Molecular Weight535.6
XLogP4.4
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity830
SMILES
C1C[C@@H](N(C1)C2=NN3C(=NC=C3C4=CC=CC(=N4)C5=CC(=NC=C5)N6CCC(CC6)O)C=C2)C7=CC(=CC=C7)F
InChI
InChI=1S/C31H30FN7O/c32-23-5-1-4-22(18-23)27-8-3-15-38(27)30-10-9-29-34-20-28(39(29)36-30)26-7-2-6-25(35-26)21-11-14-33-31(19-21)37-16-12-24(40)13-17-37/h1-2,4-7,9-11,14,18-20,24,27,40H,3,8,12-13,15-17H2/t27-/m1/s1
InChIKey
BLGCSOKKBWHJMB-HHHXNRCGSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
CAS: 1196546-33-4
CID: 58335500
Formula: C31H30FN7O
MW: 535.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass535.24958677
Monoisotopic Mass535.24958677
Topological Polar Surface Area82.7 Ų
Heavy Atom Count40
Formal Charge0
Complexity830
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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