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TAS0612

CAT: 0013-GTR19219380-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219380-02Size:50 mg
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Description
TAS0612 is a novel, orally bioavailable small molecule inhibitor targeting RSK, AKT, and S6K kinases. Its broad-spectrum antitumor activity, demonstrated in both in vitro cell proliferation assays and in vivo xenograft models, makes it a valuable research tool for investigating oncogenic signaling pathways in cancer research.
CAS Number
2148902-58-1
Field of Research
Signal Transduction
Smiles
O=C1NC2=NC=NC (=C2C1 (C) C) N3CCC (C4=NC (=CC=C4NCCNC (C) (C) C) C5=NN=C (O5) C (F) (F) F) CC3
Molecular Formula
C27H34F3N9O2
Molecular Weight
573.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[4-[3-[2-(tert-butylamino)ethylamino]-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CAS Number2148902-58-1
PubChem CID132162214
IUPAC Name4-[4-[3-[2-(tert-butylamino)ethylamino]-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
Molecular FormulaC27H34F3N9O2
Molecular Weight573.6
XLogP3
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity909
SMILES
CC1(C2=C(NC1=O)N=CN=C2N3CCC(CC3)C4=C(C=CC(=N4)C5=NN=C(O5)C(F)(F)F)NCCNC(C)(C)C)C
InChI
InChI=1S/C27H34F3N9O2/c1-25(2,3)34-11-10-31-16-6-7-17(22-37-38-24(41-22)27(28,29)30)35-19(16)15-8-12-39(13-9-15)21-18-20(32-14-33-21)36-23(40)26(18,4)5/h6-7,14-15,31,34H,8-13H2,1-5H3,(H,32,33,36,40)
InChIKey
JXSXWPCGHMFVGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[3-[2-(tert-butylamino)ethylamino]-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CAS: 2148902-58-1
CID: 132162214
Formula: C27H34F3N9O2
MW: 573.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass573.27875585
Monoisotopic Mass573.27875585
Topological Polar Surface Area134 Ų
Heavy Atom Count41
Formal Charge0
Complexity909
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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