Products for Research Use Only

LRK-4189

CAT: 0013-GTR19263038-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263038-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LRK-4189 is an orally active, selective PIP4K2C PROTAC degrader with a DC50 <500 nM in MOLT-4 cells. It induces endogenous apoptosis and activates the interferon signaling pathway, exhibiting antitumor activity against microsatellite stable (MSS) colorectal cancer (CRC) cells.
CAS Number
3063346-83-5
Field of Research
Pharmacology & Drug Discovery
Purity
99.88% (May vary between batches)
Smiles
FC=1C (C2=CC (=CC=C2) N3C (=O) C=CC=C3) =NC (N[C@@H]4CC[C@@H] (NC (=O) [C@@H]5CC[C@H] (CC5) N6CCN (CC6) C7=C (F) C=C (N[C@@H]8C (=O) NC (=O) CC8) C=C7) CC4) =NC1
Molecular Formula
C43H49F2N9O4
Molecular Weight
793.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperazin-1-yl]-N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide
CAS Number3063346-83-5
PubChem CID172592045
IUPAC Name4-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperazin-1-yl]-N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide
Molecular FormulaC43H49F2N9O4
Molecular Weight793.9
XLogP5.1
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count58
Formal Charge0
Complexity1510
SMILES
C1CC(=O)NC(=O)[C@H]1NC2=CC(=C(C=C2)N3CCN(CC3)C4CCC(CC4)C(=O)NC5CCC(CC5)NC6=NC=C(C(=N6)C7=CC(=CC=C7)N8C=CC=CC8=O)F)F
InChI
InChI=1S/C43H49F2N9O4/c44-34-25-31(47-36-16-18-38(55)50-42(36)58)13-17-37(34)53-22-20-52(21-23-53)32-14-7-27(8-15-32)41(57)48-29-9-11-30(12-10-29)49-43-46-26-35(45)40(51-43)28-4-3-5-33(24-28)54-19-2-1-6-39(54)56/h1-6,13,17,19,24-27,29-30,32,36,47H,7-12,14-16,18,20-23H2,(H,48,57)(H,46,49,51)(H,50,55,58)/t27?,29?,30?,32?,36-/m0/s1
InChIKey
JESQZBCEODMQQE-FYVYCVFMSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperazin-1-yl]-N-[4-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide
CAS: 3063346-83-5
CID: 172592045
Formula: C43H49F2N9O4
MW: 793.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight793.9
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass793.38755740
Monoisotopic Mass793.38755740
Topological Polar Surface Area152 Ų
Heavy Atom Count58
Formal Charge0
Complexity1510
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