ABP-JCP251-bT

General

Type : Coumarin, Chromen, Triazol, ABPP-Probe, Boron compound, Boranuidatricyclo, BODIPY-derivative, Fluorescent Probe

Chemical_Nomenclature : N-[3-[4-[2-(7-amino-4-chloro-1-oxoisochromen-3-yl)oxyethyl]triazol-1-yl]propyl]-3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanamide

Canonical SMILES : [B-]1(N2C(=CC=C2C3=CC=C(C=C3)OC)C=C4[N+]1=C(C(=C4C)CCC(=O)NCCCN5C=C(N=N5)CCOC6=C(C7=C(C=C(C=C7)N)C(=O)O6)Cl)C)(F)F

InChI : InChI=1S\/C37H37BClF2N7O5\/c1-22-29(23(2)47-33(22)20-27-8-13-32(48(27)38(47,40)41)24-5-9-28(51-3)10-6-24)12-14-34(49)43-16-4-17-46-21-26(44-45-46)15-18-52-37-35(39)30-11-7-25(42)19-31(30)36(50)53-37\/h5-11,13,19-21H,4,12,14-18,42H2,1-3H3,(H,43,49)

InChIKey : DUVPSECELOYDOF-UHFFFAOYSA-N

Other name(s) : JCP251-bT


MW : 744.0

Formula : C37H37BClF2N7O5

CAS_number :

PubChem : 132472132

UniChem : DUVPSECELOYDOF-UHFFFAOYSA-N

Target

Families : ABP-JCP251-bT ligand of proteins in family
Hormone-sensitive_lipase_like

Protein :
staau-MW2456

References (1)

Title : Identification of a S. aureus virulence factor by activity-based protein profiling (ABPP) - Lentz_2018_Nat.Chem.Biol_14_609
Author(s) : Lentz CS , Sheldon JR , Crawford LA , Cooper R , Garland M , Amieva MR , Weerapana E , Skaar EP , Bogyo M
Ref : Nat Chemical Biology , 14 :609 , 2018
Abstract :
PubMedSearch : Lentz_2018_Nat.Chem.Biol_14_609
PubMedID: 29769740
Gene_locus related to this paper: staau-MW2456 , staau-SA2422