LEI-515
General
Type : Piperazine, Sulfur Compound, Organochlorine
Chemical_Nomenclature : 1-[2-chloro-4-[(2S,3S)-4-(3-chlorophenyl)-2,3-dimethylpiperazine-1-carbonyl]phenyl]sulfinyl-3,3-difluoropentan-2-one
Canonical SMILES : CCC(C(=O)CS(=O)C1=C(C=C(C=C1)C(=O)N2CCN(C(C2C)C)C3=CC(=CC=C3)Cl)Cl)(F)F
InChI : InChI=1S\/C24H26Cl2F2N2O3S\/c1-4-24(27,28)22(31)14-34(33)21-9-8-17(12-20(21)26)23(32)30-11-10-29(15(2)16(30)3)19-7-5-6-18(25)13-19\/h5-9,12-13,15-16H,4,10-11,14H2,1-3H3\/t15-,16-,34+\/m0\/s1 || InChI=1S\/C24H26Cl2F2N2O3S\/c1-4-24(27,28)22(31)14-34(33)21-9-8-17(12-20(21)26)23(32)30-11-10-29(15(2)16(30)3)19-7-5-6-18(25)13-19\/h5-9,12-13,15-16H,4,10-11,14H2,1-3H3\/t15-,16-,34?\/m0\/s1
InChIKey : WYHRZGBTLDYJGW-GLVLYPABSA-N || WYHRZGBTLDYJGW-CFANGXOFSA-N
Other name(s) : UX || 1-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl-3,3-bis(fluoranyl)pentan-2-one || 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one || 1-((2-Chloro-4-(4-(3-chlorophenyl)-trans-2,3-dimethylpiperazine-1-carbonyl)phenyl)sulfinyl)-3,3-difluoropentan-2-one || +\/-73
MW : 531.44
Formula : C24H26Cl2F2N2O3S
CAS_number :
PubChem : 156760414
UniChem : WYHRZGBTLDYJGW-GLVLYPABSA-N, WYHRZGBTLDYJGW-CFANGXOFSA-N
Target
Families : LEI-515 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Structure :
8AQF
Protein :
human-MGLL
References (6)
| Title : Structure-Activity Relationship Studies of Aryl Sulfoxides as Reversible Monoacylglycerol Lipase Inhibitors - Jiang_2024_J.Med.Chem__ |
| Author(s) : Jiang M , Huizenga MCW , Mohr F , Amedi A , Bakker R , van den Berg R , Deng H , van der Wel T , van Boeckel CAA , van der Stelt M |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Jiang_2024_J.Med.Chem__ |
| PubMedID: 38988250 |
| Title : Structure-Activity Relationship Studies of Aryl Sulfoxides as Reversible Monoacylglycerol Lipase Inhibitors - Jiang_2024_J.Med.Chem__ |
| Author(s) : Jiang M , Huizenga MCW , Mohr F , Amedi A , Bakker R , van den Berg R , Deng H , van der Wel T , van Boeckel CAA , van der Stelt M |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Jiang_2024_J.Med.Chem__ |
| PubMedID: 38988250 |
| Title : Structure-Activity Relationship Studies of Aryl Sulfoxides as Reversible Monoacylglycerol Lipase Inhibitors - Jiang_2024_J.Med.Chem__ |
| Author(s) : Jiang M , Huizenga MCW , Mohr F , Amedi A , Bakker R , van den Berg R , Deng H , van der Wel T , van Boeckel CAA , van der Stelt M |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Jiang_2024_J.Med.Chem__ |
| PubMedID: 38988250 |
| Title : A monoacylglycerol lipase inhibitor showing therapeutic efficacy in mice without central side effects or dependence - Jiang_2023_Nat.Commun_14_8039 |
| Author(s) : Jiang M , Huizenga MCW , Wirt JL , Paloczi J , Amedi A , van den Berg R , Benz J , Collin L , Deng H , Di X , Driever WF , Florea BI , Grether U , Janssen APA , Hankemeier T , Heitman LH , Lam TW , Mohr F , Pavlovic A , Ruf I , van den Hurk H , Stevens AF , van der Vliet D , van der Wel T , Wittwer MB , van Boeckel CAA , Pacher P , Hohmann AG , van der Stelt M |
| Ref : Nat Commun , 14 :8039 , 2023 |
| Abstract : |
| PubMedSearch : Jiang_2023_Nat.Commun_14_8039 |
| PubMedID: 38052772 |
| Title : A monoacylglycerol lipase inhibitor showing therapeutic efficacy in mice without central side effects or dependence - Jiang_2023_Nat.Commun_14_8039 |
| Author(s) : Jiang M , Huizenga MCW , Wirt JL , Paloczi J , Amedi A , van den Berg R , Benz J , Collin L , Deng H , Di X , Driever WF , Florea BI , Grether U , Janssen APA , Hankemeier T , Heitman LH , Lam TW , Mohr F , Pavlovic A , Ruf I , van den Hurk H , Stevens AF , van der Vliet D , van der Wel T , Wittwer MB , van Boeckel CAA , Pacher P , Hohmann AG , van der Stelt M |
| Ref : Nat Commun , 14 :8039 , 2023 |
| Abstract : |
| PubMedSearch : Jiang_2023_Nat.Commun_14_8039 |
| PubMedID: 38052772 |
| Title : A monoacylglycerol lipase inhibitor showing therapeutic efficacy in mice without central side effects or dependence - Jiang_2023_Nat.Commun_14_8039 |
| Author(s) : Jiang M , Huizenga MCW , Wirt JL , Paloczi J , Amedi A , van den Berg R , Benz J , Collin L , Deng H , Di X , Driever WF , Florea BI , Grether U , Janssen APA , Hankemeier T , Heitman LH , Lam TW , Mohr F , Pavlovic A , Ruf I , van den Hurk H , Stevens AF , van der Vliet D , van der Wel T , Wittwer MB , van Boeckel CAA , Pacher P , Hohmann AG , van der Stelt M |
| Ref : Nat Commun , 14 :8039 , 2023 |
| Abstract : |
| PubMedSearch : Jiang_2023_Nat.Commun_14_8039 |
| PubMedID: 38052772 |