Inhibitor Report for: MIDA-ester-4j
| MIDA-ester-4j | Type | MIDA boronate |
|---|
| | Boron compound |
| Other_Name | MIDA (2-(N-(2-chloro-4-fluorobenzyl)benzamido)-2-cyanoethyl)boronate |
| | (2-(N-(2-chloro-4-fluorobenzyl)benzamido)-2-cyanoethyl)boronate MIDA ester |
| Chemical_Nomenclature | (2-(N-(2-chloro-4-fluorobenzyl)benzamido)-2-cyanoethyl) acid 6-methyl-1,3,6,2-dioxazaborocane-4,8-dione ester |
| Formula | C22H21BClFN3O5 |
| MW | 472.12 |
| Pick_me_to_call | display_script | MIDA-ester-4j |
| Paper | Tan_2017_Nat.Commun_8_1760 |
| Comment | Specific inhibitor of ABHD3. MIDA boronate ester. 6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (N-methyliminodiacetic acid) displays nanomolar in vitro and in situ IC50 values and fully inhibits ABHD3 activity in human cells could be nanomolar rang inhibitor |
| Gene_locus | human-ABHD3 |
| | mouse-abhd3 |
| News | NOVEMBER-29-2017 |
| Family | abh_upf0017 |
| InChIKey | GIXDQHPLLJDVGG-UHFFFAOYSA-N |
| CanonicalSMILES | C1=C(C(=CC=C1F)CN(C(=O)C2=CC=CC=C2)C(C#N)CB3OC(CN(CC(O3)=O)C)=O)Cl |
| InChI | InChI=1S/C22H20BClFN3O5/c1-27-13-20(29)32-23(33-21(30)14-27)10-18(11-26)28(22(31)15-5-3-2-4-6-15)12-16-7-8-17(25)9-19(16)24/h2-9,18H,10,12-14H2,1H3 |
|
|
|
