A 410099.1 amide-PEG5-amine

A 410099.1 amide-PEG5-amine, IAP ligand with PEG linker and terminal amine for onward chemistry Functionalized IAP ligand for PROTAC® research and development; incorporates an IAP ligand plus an amide-PEG5 linker with terminal amine ready for conjugation to a target protein ligand. Part of a range of functionalized tool molecules for PROTAC R&D.

Product information

CAS Number: 2446474-11-7

Molecular Weight: 861.08

Formula: C44H72N6O11

Chemical Name: tert-Butyl((S)-1-(((S)-2-((2S,4S)-4-(17-amino-3,6,9,12,15-pentaoxaheptadecanamido)-2-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-1-yl)-1-cyclohexyl-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate InChI Key WUQFDZYWJGAVJW-XQVCTUMGSA-N Smiles CN(C(OC(C)(C)C)=O)[C@H](C(N[C@H](C(N1C[C@@H](NC(COCCOCCOCCOCCOCCN)=O)C[C@H]1C(N[C@@H]2CCCC3=CC=CC=C23)=O)=O)C4CCCCC4)=O)C References

Smiles: CN([C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)NC(=O)COCCOCCOCCOCCOCCN)C(=O)OC(C)(C)C

InChiKey: WUQFDZYWJGAVJW-XQVCTUMGSA-N

InChi: InChI=1S/C44H72N6O11/c1-31(49(5)43(55)61-44(2,3)4)40(52)48-39(33-13-7-6-8-14-33)42(54)50-29-34(28-37(50)41(53)47-36-17-11-15-32-12-9-10-16-35(32)36)46-38(51)30-60-27-26-59-25-24-58-23-22-57-21-20-56-19-18-45/h9-10,12,16,31,33-34,36-37,39H,6-8,11,13-15,17-30,45H2,1-5H3,(H,46,51)(H,47,53)(H,48,52)/t31-,34-,36+,37-,39-/m0/s1

Technical Data

Appearance: Solid Power.

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

Solubility: Soluble in DMSO

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined.

HS Tariff Code: 382200

References:

1. Tinworth et al (2019) PROTAC-mediated degradation of Bruton's tyrosine kinase is inhibited by covalent binding. ACS Chem.Biol. 14 342 PMID: 30807093

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