A 410099.1 amide-PEG4-amine

A 410099.1 amide-PEG4-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-PEG4 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: 2446474-10-6

Molecular Weight: 817.02

Formula: C42H68N6O10

Chemical Name: tert-Butyl((S)-1-(((S)-2-((2S,4S)-4-(14-amino-3,6,9,12-tetraoxatetradecanamido)-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 CDDABGWUXFFTGQ-MLSLTINKSA-N Smiles CN([C@H](C(N[C@H](C(N1C[C@@H](NC(COCCOCCOCCOCCN)=O)C[C@H]1C(N[C@@H]2CCCC3=CC=CC=C23)=O)=O)C4CCCCC4)=O)C)C(OC(C)(C)C)=O 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)COCCOCCOCCOCCN)C(=O)OC(C)(C)C

InChiKey: CDDABGWUXFFTGQ-MLSLTINKSA-N

InChi: InChI=1S/C42H68N6O10/c1-29(47(5)41(53)58-42(2,3)4)38(50)46-37(31-13-7-6-8-14-31)40(52)48-27-32(44-36(49)28-57-25-24-56-23-22-55-21-20-54-19-18-43)26-35(48)39(51)45-34-17-11-15-30-12-9-10-16-33(30)34/h9-10,12,16,29,31-32,34-35,37H,6-8,11,13-15,17-28,43H2,1-5H3,(H,44,49)(H,45,51)(H,46,50)/t29-,32-,34+,35-,37-/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 Biol.Chem. 14 342 PMID: 30807093

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