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RET-IN-8

CAT: 0013-GTR19185430-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185430-02Size:50 mg
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Description
RET-IN-8 is a potent and selective RET kinase inhibitor used in cancer research. It is a valuable tool compound for investigating RET-driven oncogenesis in both cellular (in vitro) and animal (in vivo) models, supporting studies in targeted therapy development.
CAS Number
2642164-75-6
Field of Research
Cell Biology, Signal Transduction
Smiles
C (#N) C1=C2C (=CC (=CN2N=C1) C=3CCOCC3) C=4C=CC (=NC4) N5CCN (C ([C@@H] (C (C) C) O) =O) CC5
Molecular Formula
C27H30N6O3
Molecular Weight
486.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ret-IN-8
CAS Number2642164-75-6
PubChem CID156376098
IUPAC Name6-(3,6-dihydro-2H-pyran-4-yl)-4-[6-[4-[(2R)-2-hydroxy-3-methylbutanoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
Molecular FormulaC27H30N6O3
Molecular Weight486.6
XLogP1.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity863
SMILES
CC(C)[C@H](C(=O)N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=CN4C3=C(C=N4)C#N)C5=CCOCC5)O
InChI
InChI=1S/C27H30N6O3/c1-18(2)26(34)27(35)32-9-7-31(8-10-32)24-4-3-20(15-29-24)23-13-21(19-5-11-36-12-6-19)17-33-25(23)22(14-28)16-30-33/h3-5,13,15-18,26,34H,6-12H2,1-2H3/t26-/m1/s1
InChIKey
CCOLQMCRERFSQU-AREMUKBSSA-N
Chemical Structure
2D Structure
2D structure of Ret-IN-8
CAS: 2642164-75-6
CID: 156376098
Formula: C27H30N6O3
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass486.23793884
Monoisotopic Mass486.23793884
Topological Polar Surface Area107 Ų
Heavy Atom Count36
Formal Charge0
Complexity863
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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