BChE-IN-9
BChE-IN-9 (Azepano-11-deoxo-glycyrrhetol) is a mixed type BChE inhibitor with a Ki of 0.21 microM
General
Type : Azepane
Chemical_Nomenclature : [(1R,2S,5S,8S,10R,14R,15R,21R)-1,2,5,8,15,20,20-heptamethyl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-11-en-8-yl]methanol
Canonical SMILES : CC1(C2CCC3(C(C2(CCCN1)C)CC=C4C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C
InChI : InChI=1S\/C30H51NO\/c1-25(2)23-11-13-30(7)24(28(23,5)12-8-18-31-25)10-9-21-22-19-26(3,20-32)14-15-27(22,4)16-17-29(21,30)6\/h9,22-24,31-32H,8,10-20H2,1-7H3\/t22-,23-,24+,26-,27+,28-,29+,30+\/m0\/s1
InChIKey : HFULOZRUEGOFNH-DWJKITPBSA-N
Other name(s) : NSC797798 || NSC-797798 || HY-147880 || CS-0529832 || Azepano-11-deoxo-glycyrrhetol
MW : 441.7
Formula : C30H51NO
CAS_number : 2468035-31-4
PubChem : 155813875
UniChem : HFULOZRUEGOFNH-DWJKITPBSA-N
Target
Families : BChE-IN-9 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Synthesis and cholinesterase inhibiting potential of A-ring azepano- and 3-amino-3,4-seco-triterpenoids - Kazakova_2020_Bioorg.Chem_101_104001 |
| Author(s) : Kazakova O , Smirnova I , Lopatina T , Giniyatullina G , Petrova A , Khusnutdinova E , Csuk R , Serbian I , Loesche A |
| Ref : Bioorg Chem , 101 :104001 , 2020 |
| Abstract : |
| PubMedSearch : Kazakova_2020_Bioorg.Chem_101_104001 |
| PubMedID: 32683137 |