Name: A 410099.1, amine-Boc hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Room temperature in continental US; may vary elsewhere.

IUPACName

tert-butyl N-[(2S)-1-[[(1S)-2-[(2S,4S)-4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride

InChI Key

XWVNETXEAKCZET-CZNZTGDVSA-N

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

Canonical SMILES

C[C@@H](C(N[C@H](C(N1C[C@H](C[C@H]1C(N[C@@H]2CCCC3=CC=CC=C23)=O)N)=O)C4CCCCC4)=O)N(C(OC(C)(C)C)=O)C.Cl

Background Introduction

A 410099.1, amine-Boc hydrochloride, is a specialized chemical intermediate designed for use in PROTAC (Proteolysis Targeting Chimera) research and development. As a member of the E3 ligase ligand-linker conjugate family, A 410099.1, amine-Boc hydrochloride plays a pivotal role in synthesizing novel targeted protein degradation molecules. Its amine-Boc protected moiety enhances synthetic flexibility and stability during the conjugation process, making it an essential building block in targeted protein degradation strategies.

Mechanism

The mechanism of A 410099.1, amine-Boc hydrochloride centers on its function as a key ligand-linker component in the assembly of PROTAC molecules. In the PROTAC platform, a ligand for an E3 ubiquitin ligase is conjugated via a chemical linker to a ligand for the protein of interest (POI). A 410099.1, amine-Boc hydrochloride provides the amine handle for further functionalization, allowing for tailored linker attachment. Upon integration into a PROTAC, this conjugate enables the induced proximity of the target protein to the E3 ubiquitin ligase, prompting ubiquitination and subsequent proteasomal degradation of the POI.

Applications

A 410099.1, amine-Boc hydrochloride is primarily employed in the rational design and synthesis of PROTAC molecules targeting disease-relevant proteins. Researchers utilize this versatile intermediate for structure-activity relationship (SAR) studies, lead optimization, and the development of innovative therapeutics in oncology, neurodegenerative disorders, and other therapeutic areas. The product’s protected amine facilitates modular assembly, streamlining the development of next-generation protein degraders and expanding applications in chemical biology, drug discovery, and medicinal chemistry projects involving targeted protein degradation.

• Protected amine group offers improved stability during complex PROTAC assembly processes
• Ideal for efficient incorporation into E3 ligase ligand-linker conjugates, facilitating targeted protein degradation

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C₁V₁ = C₂V₂