KGP-25
Ester of Propofol. KGP-25 targeting the voltage-gated sodium channel 1.8 (Nav1.8) in the peripheral nervous system (PNS) for analgesia, and later the -aminobutyric acid subtype A receptor (GABAA) in the central nervous system (CNS) for general anesthesia
General
Type : Not AlphaBeta Hydrolase target, Pro-Drug, Drug, Multitarget
Chemical_Nomenclature : 2-(Diethylamino)ethyl (2,6-Diisopropylphenyl) Carbonate Hydrochloride
Canonical SMILES : C1=CC=C(C(=C1C(C)C)OC(OCCN(CC)CC)=O)C(C)C || C1=CC=C(C(=C1C(C)C)OC(OCC[N+](CC)CC)=O)C(C)C.[Cl-]
InChI : InChI=1S\/C19H31NO3\/c1-7-20(8-2)12-13-22-19(21)23-18-16(14(3)4)10-9-11-17(18)15(5)6\/h9-11,14-15H,7-8,12-13H2,1-6H3 || InChI=1S\/C19H31NO3.ClH\/c1-7-20(8-2)12-13-22-19(21)23-18-16(14(3)4)10-9-11-17(18)15(5)6\;\/h9-11,14-15H,7-8,12-13H2,1-6H3\;1H
InChIKey : LWTXMBZCRQIMCN-UHFFFAOYSA-N || PMJDNXZCUXYUDO-UHFFFAOYSA-N
Other name(s) :
MW : 321.45 || 357.92
Formula : C19H31NO3 || C19H32ClNO3
CAS_number :
PubChem :
UniChem : LWTXMBZCRQIMCN-UHFFFAOYSA-N, PMJDNXZCUXYUDO-UHFFFAOYSA-N
Target
Structures : No structure
Families : Carb_B_Chordata
References (1)
| Title : Molecular Transformers: Adaptive Multitarget Ligands for Esterase-Induced Transition from Analgesics to Anesthetics - Huang_2024_J.Med.Chem__ |
| Author(s) : Huang T , Song C , Chen Y , Gan Y , Hu S , Hai A , Liu W , Kang T , Zhao Y , Miao Z , Wang X , Fu Y , Ke B |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Huang_2024_J.Med.Chem__ |
| PubMedID: 39013072 |