TBK1 PROTAC 3i

Cas：2052306-31-5

Product Information：

TBK1 control PROTAC 4 is a negative control for TBK1 PROTAC 3i. It binds TBK1 with high affinity, but exhibits no significant degradation of TBK1.

Chemical Formula: C53H74BrN9O9S

Exact Mass: 1091.4514

Molecular Weight: 1093.193

Elemental Analysis: C, 58.23; H, 6.82; Br, 7.31; N, 11.53; O, 13.17; S, 2.93

Synonym:

TBK1 control PROTAC 4

TBK1control PROTAC4

TBK1

Chemical Name: (2S,4S)-1-((S)-18-(4-((5-bromo-4-((3-(N-methylcyclobutanecarboxamido)propyl)amino)pyrimidin-2-yl)amino)phenoxy)-2-(tert-butyl)-4-oxo-6,10,15-trioxa-3-azaoctadecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

InChi Key: 

QMGHHBHPDDAGGO-JTTRWUFTSA-N

InChi Code: InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44-,47+/m0/s1

Smiles Code:

CN(CCCNC1=NC(NC2=CC=C(OCCCOCCCCOCCCOCC(N[C@H](C(N3C[C@@H](O)C[C@H]3C(NCC4=CC=C(C=C4)C5=C(C)N=CS5)=O)=O)C(C)(C)C)=O)C=C2)=NC=C1Br)C(C6CCC6)=O

Technical Data：

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

References：

1. Crew et al (2018) Identification and characterization of Von Hippel-Lindau-recruiting proteolysis targeting chimeras (PROTACs) of TANK-binding kinase 1. J.Med.Chem. 61 583 PMID: 28692295

Products are for research use only. Not for human use.