MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 463298 | Name: TBK1 control PROTAC® 4
Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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 Structure

TBK1 control PROTAC® 4
TBK1 control PROTAC® 4
CAS#2052306-31-5

Theoretical Analysis

MedKoo Cat#: 463298

Name: TBK1 control PROTAC® 4

CAS#: 2052306-31-5

Chemical Formula: C53H74BrN9O9S

Exact Mass: 1091.4514

Molecular Weight: 1093.19

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

Price and Availability

Size Price Availability Quantity
5mg USD 700.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
TBK1 control PROTAC® 4;
IUPAC/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
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,093.19 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Scheepstra M, Hekking KFW, van Hijfte L, Folmer RHA. Bivalent Ligands for Protein Degradation in Drug Discovery. Comput Struct Biotechnol J. 2019 Jan 25;17:160-176. doi: 10.1016/j.csbj.2019.01.006. PMID: 30788082; PMCID: PMC6369262.