A 410099.1, amine-Boc hydrochloride

A 410099.1, amine-Boc hydrochloride is a functionalized IAP ligand for PROTACs that incorporates with an amine functional handle for ready conjugation to a linker/target protein ligand.

Product information

CAS Number: 2374122-37-7

Molecular Weight: 620.22

Formula: C32H50ClN5O5

Chemical Name: tert-butyl N-[(1S)-1-{[(1S)-2-[(2S, 4S)-4-amino-2-{[(1R)-1, 2, 3, 4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate hydrochloride

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

InChiKey: XWVNETXEAKCZET-CZNZTGDVSA-N

InChi: InChI=1S/C32H49N5O5.ClH/c1-20(36(5)31(41)42-32(2,3)4)28(38)35-27(22-13-7-6-8-14-22)30(40)37-19-23(33)18-26(37)29(39)34-25-17-11-15-21-12-9-10-16-24(21)25;/h9-10,12,16,20,22-23,25-27H,6-8,11,13-15,17-19,33H2,1-5H3,(H,34,39)(H,35,38);1H/t20-,23-,25+,26-,27-;/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

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