800CW-NHS-ester

Not an inhibitor nor a substrate. Protein are labelled with IRDye800CW NHS Ester (NIR Dye Pack, Doc #98818,083, LI-COR Biosciences, Lincoln, NE, USA) in a reaction that covalently binds dye to lysine

General

Type : Near-Infrared fluorescent Probe, Fluorescent Probe, Pyrrolidine, Dye

Chemical_Nomenclature : trisodium\;(2E)-2-[(2Z)-2-[3-[(Z)-2-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]ethenyl]-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate

Canonical SMILES : CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1\/C=CC3=C(\/C(=CC=C4\/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)[O-])(C)C)\/CCC3)OC6=CC=C(C=C6)S(=O)(=O)[O-])CCCCCC(=O)ON7C(=O)CCC7=O)C.[Na+].[Na+].[Na+]

InChI : InChI=1S\/C50H57N3O17S4.3Na\/c1-49(2)39-31-37(73(63,64)65)20-22-41(39)51(28-7-5-6-13-47(56)70-53-45(54)26-27-46(53)55)43(49)24-14-33-11-10-12-34(48(33)69-35-16-18-36(19-17-35)72(60,61)62)15-25-44-50(3,4)40-32-38(74(66,67)68)21-23-42(40)52(44)29-8-9-30-71(57,58)59\;\;\;\/h14-25,31-32H,5-13,26-30H2,1-4H3,(H3-,57,58,59,60,61,62,63,64,65,66,67,68)\;\;\;\/q\;3*+1\/p-3

InChIKey : PBPMREYPAOZRBU-UHFFFAOYSA-K

Other name(s) : IRDye800CW  ||  800CW NHS ester  ||  HY-D1872  ||  CS-0850399


MW : 1166.2

Formula : C50H54N3Na3O17S4

CAS_number :

PubChem : 169450574

UniChem : PBPMREYPAOZRBU-UHFFFAOYSA-K

Target

Structures : No structure

Families : No family

References (1)

Title : Pharmacokinetics and fate of free and encapsulated IRD800CW-labelled human BChE intravenously administered in mice - Pashirova_2024_Int.J.Biol.Macromol_282_137305
Author(s) : Pashirova T , Shaihutdinova Z , Tatarinov D , Titova A , Malanyeva A , Vasileva O , Gabdurakhmanov K , Dudnikov S , Schopfer LM , Lockridge O , Masson P
Ref : Int J Biol Macromol , 282 :137305 , 2024
Abstract :
PubMedSearch : Pashirova_2024_Int.J.Biol.Macromol_282_137305
PubMedID: 39515732