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GSK3145095 100mg

CAT: 0628-A19427-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A19427-100Size:100 mg
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CAS Number
1622849-43-7

Chemical Information

Gsk-3145095

RIPK1 Inhibitor GSK3145095 is an orally available, small-molecule inhibitor of receptor-interacting serine/threonine-protein kinase 1 (RIPK1; receptor-interacting protein 1; RIP1) with potential antineoplastic and immunomodulatory activities. Upon administration, GSK3145095 disrupts RIPK1-mediated signaling, which may reduce C-X-C motif chemokine ligand 1 (CXCL1)-driven recruitment and migration of immunosuppressive myeloid-derived suppressor cells (MDSCs) in the tumor microenvironment (TME). This allows effector cells, such as natural killer (NK) cells and cytotoxic T-lymphocytes (CTLs), to kill and eliminate cancer cells. RIPK1, a serine-threonine kinase that normally plays a key role in inflammation and cell death in response to tissue damage and pathogen recognition, is overexpressed in certain cancer types and may be associated with oncogenesis and promotion of the immunosuppressive nature of the TME.

CAS Number1622849-43-7
PubChem CID118557502
IUPAC Name5-benzyl-N-[(3S)-7,9-difluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
Molecular FormulaC20H17F2N5O2
Molecular Weight397.4
XLogP3.1
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity603
SMILES
C1CC2=C(C(=CC(=C2)F)F)NC(=O)[C@H]1NC(=O)C3=NNC(=N3)CC4=CC=CC=C4
InChI
InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1
InChIKey
ATQAGKAMBISZQM-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-3145095
CAS: 1622849-43-7
CID: 118557502
Formula: C20H17F2N5O2
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass397.13503113
Monoisotopic Mass397.13503113
Topological Polar Surface Area99.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity603
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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