65868-63-5

Basic information

• Product Name: Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester
• Synonyms: Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester;tert-butyl 6-bromohexanoate
• CAS NO: 65868-63-5
• Molecular Formula: C₁₀H₁₉BrO₂
• Molecular Weight: 251.16066
• Mol File: 65868-63-5.mol

Chemical Properties

• Boiling Point: 256.3±23.0 °C(Predicted)
• Appearance: /
• Density: 1.194±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester(65868-63-5)
• EPA Substance Registry System: Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester(65868-63-5)

Safety Data

• Hazardous Substances Data: 65868-63-5(Hazardous Substances Data)

Usage

Uses

Used in Food Industry:
Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester is used as a flavoring agent for enhancing the taste and aroma of various food products, providing a fruity and floral note to the final product.
Used in Cosmetic Industry:
In the cosmetic industry, Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester is used as a fragrance agent to impart a pleasant and appealing scent to products such as perfumes, soaps, and other personal care items.
Used in Perfumery:
Hexanoic acid, 6-bromo-, 1,1-dimethylethyl ester is utilized as a key ingredient in the manufacturing of perfumes, where its unique aroma contributes to the overall scent profile and helps create a harmonious and attractive fragrance.

Upstream product

• 4224-70-8 6-bromohexanoic acid 
• 115-11-7 isobutene 
• 75-65-0 tert-butyl alcohol 
• 22809-37-6 6-bromohexanoyl chloride 
• 98946-18-0 tert-Butyl 2,2,2-trichloroacetimidate 
• 36805-97-7 N,N-dimethylformamide di-tert-butyl acetal 
• 590-92-1 3-Bromopropionic acid 
• 2623-87-2 bromobutyric acid 
• 7487-88-9 magnesium sulfate 
• 671802-00-9 3-(2-hydroxyethoxy)propionic acid tert-butyl ester 

Downstream Products

• 67899-04-1 ester t-butylique de l'acide 6-iodo hexanoieque 
• 73839-20-0 tert-butyl 6-hydroxyhexanoate 
• 288099-95-6 6-{(4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(R)-4-(4-Cyano-benzyloxy)-1-methyl-butyl]-4a,6a-dimethyl-hexadecahydro-indeno[5,4-f]quinolin-1-yl}-hexanoic acid tert-butyl ester 
• 918152-37-1 5-ethynylfluorescein-(5-tert-butoxycarbonyl)pentyl ester 
• 867372-50-7 6-(1-phenyl-1H-tetrazoly-5-ylsulfanyl)hexanoic acid tert-butyl ester 
• 83836-81-1 tert-butyl 6-(phenylthio)hexanoate 
• 945414-50-6 tert-butyl 6-phenoxyhexanoate 
• 945413-93-4 6-(phenylthio)-1-(5-(pyridin-2-yl)oxazol-2-yl)hexan-1-one 
• 7170-41-4 6-phenoxyhexanoic acid 
• 325698-86-0 6-(phenylthio)hexanoic acid 
• 276869-41-1 2-(9H-fluoren-9-ylmethoxycarbonylamino)-octanedioic acid 8-tert-butyl ester 

Relevant articles and documents

Molecular recognition of a monoclonal antibody (AC1106) cross-reactive for derivatives of Ru(bpy)32+a and Ru(phen)32+

The characterization of a monoclonal antibody (AC1106) elicited via immunization with a co(dmbpy)(bpy)23+-methyl viologen hapten (1) is described. AC1106 was found cross-reactive for a variety of luminescent ruthenium(II) metal complexes which served as useful probes to investigate the molecular recognition properties of this antibody. AC1106 was found to be specific for methylated derivatives of Ru(bpy)32+ and Ru(phen)32+ in the order of Ru(dmbpy)32+ > Ru(dmbpy)(bpy)22+ > Ru(dmphen)32+ > Ru(bpy)32+ >> Ru(phen)32+. The affinities of AC1106 for these metal complexes were found to range from ≥ 5 x 107 to ≤ 1 x 103 M-1. When bound (> 98%) by AC1106, the luminescence decay traces for the racemic Ru(dmbpy)32+ and Ru(dmbpy)(bpy)22+ gave a satisfactory fit to a single-exponential decay process. Furthermore, D2O/H2O experiments with Ru(dmbpy)32+ indicate that AC1106 protects approximately 70% of the antibody-bound Ru(dmbpy)32+ from excited state deactivation by the solvent. Competition ELISA data indicate that both the metal center and the methyl viologen moiety present in a Ru(bpy)32+-methyl viologen conjugate ([Ru(mv2+-bpy)(bpy)2]4+) are important recognition elements for AC1106. Despite the apparent affinity of AC1106 for methyl viologen, no evidence for simultaneous binding of methyl viologen and Ru(dmbpy)(bpy)22+ inside the binding pocket of AC1106 could be found. Rather, the addition of methyl viologen was found to result in the displacement of AC1106-bound Ru(dmbpy)(bpy)22+ from the antibody binding site. The characterization of a monoclonal antibody (AC1106) elicited via immunization with a Co(dmbpy)-(bpy)23+-methyl viologen hapten (1) is described. AC1106 was found cross-reactive for a variety of luminescent ruthenium (II) metal complexes which served as useful probes to investigate the molecular recognition properties of this antibody. AC1106 was found to be specific for methylated derivatives of Ru(bby)32+ and Ru(phen)32+. Furthermore, D2O/H2O experiments with Ru(dmbpy)32+ indicate that AC1106 competition ELISA data indicate that both the metal center and the methyl viologen moiety present in a Ru(bpy)32+-methyl viologen conjugate ([Ru(mv2+-bpy)(bpy)2]4+) are important recognition elements for AC1106. Despite the apparent affinity of AC1106 for methyl viologen, no evidence for simultaneous binding of methyl viologen and Ru(dmbpy)(bpy)22+ inside the binding pocket of AC1106 could be found. Rather, the addition of methyl viologen was found to result in the displacement of AC1106-bound Ru(dmbpy)(bpy)22+ from the antibody binding site.

Synthesis of Trifluoromethyl Ketone Containing Amino Acid Building Blocks for the Preparation of Peptide-Based Histone Deacetylase (HDAC) Inhibitors

Trifluoromethyl ketones (TFMKs) are electrophilic moieties which hydrate readily in aqueous media to give geminal diols. This ability has been exploited for the development of histone deacetylase (HDAC) inhibitors, because HDAC enzymes contain a Zn 2+ ion which may be chelated by this functionality. Interestingly, TFMKs are exceptional Zn 2+-binding groups for targeting the intriguing class IIa HDAC isozymes, involved in transcription factor recruitment and gene regulation. Here, we have developed a scalable and inexpensive synthetic procedure for preparation of the enantiomerically pure TFMK-containing amino acid building block (S)-2-amino-9,9,9-trifluoro-8-oxononanoic acid (Atona). In addition, we propose a protecting group strategy applicable to automated solid-phase peptide synthesis and demonstrate the ability of Atona-containing peptides to inhibit the enzymatic activity of class IIa HDACs with nanomolar potency. We envision that this synthesis will motivate the further development of peptide-based probes for the study of class IIa HDACs.

Oseltamivir PROTAC compound as well as preparation method and application thereof in anti-influenza virus medicines

The invention discloses an oseltamivir PROTAC compound as well as a preparation method and application thereof in anti-influenza virus medicines, and belongs to the technical field of medicines. The oseltamivir PROTAC compound is shown as a general formula (I) or (II), and in the general formula, E3 ligase is a VHL or CRBN ligand, and Linker is a linking group. The compound provided by the invention can effectively degrade influenza virus neuraminidase so as to exert the activity of inhibiting influenza virus replication, not only has inhibitory activity on wild influenza viruses, but also hasa very good inhibitory effect on oseltamivir drug-resistant strains, and has low toxicity to cells. The compound or the pharmacologically or physiologically acceptable salt thereof can be used for preparing anti-influenza virus medicines.

MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES

The present disclosure relates to novel compounds for use in therapeutic treatement of a disease associated with peptidylarginine deiminases (PADs), such as peptidylarginine deiminase type 4 (PAD4). The present disclosure also relates to processes and intermediates for the preparation of such compounds, methods of using such compounds and pharmaceutical compositions comprising the compounds described herein.

PRODRUGS OF CGRP ANTAGONISTS

Disclosed are prodrugs of CGRP antagonists, methods of treating CGRP related disorders, e.g., migraine, by administering to a patient in need thereof the prodrugs, pharmaceutical compositions comprising prodrugs and kits including the pharmaceutical compositions and instructions for use.

A Bioorthogonal Click Chemistry Toolbox for Targeted Synthesis of Branched and Well-Defined Protein–Protein Conjugates

Bioorthogonal chemistry holds great potential to generate difficult-to-access protein–protein conjugate architectures. Current applications are hampered by challenging protein expression systems, slow conjugation chemistry, use of undesirable catalysts, or often do not result in quantitative product formation. Here we present a highly efficient technology for protein functionalization with commonly used bioorthogonal motifs for Diels–Alder cycloaddition with inverse electron demand (DAinv). With the aim of precisely generating branched protein chimeras, we systematically assessed the reactivity, stability and side product formation of various bioorthogonal chemistries directly at the protein level. We demonstrate the efficiency and versatility of our conjugation platform using different functional proteins and the therapeutic antibody trastuzumab. This technology enables fast and routine access to tailored and hitherto inaccessible protein chimeras useful for a variety of scientific disciplines. We expect our work to substantially enhance antibody applications such as immunodetection and protein toxin-based targeted cancer therapies.

INSULIN CONJUGATES

The present invention relates to a conjugate comprising a sulfonamide of formula (I) and an active pharmaceutical ingredient such as an insulin analog comprising at least one mutation relative to the parent insulin, wherein the insulin analog comprises a mutation at position B16 which is substituted with a hydrophobic amino acid and/or a mutation at position B25 which is substituted with a hydrophobic amino acid. The present invention further relates to a sulfonamide of formula (A). Moreover, the present invention relates to an insulin analog comprising at least one mutation relative to the parent insulin.

IRAK DEGRADERS AND USES THEREOF

The present invention provides compounds, compositions thereof, and methods of using the same.

PROTAC-mediated crosstalk between E3 ligases

Small-molecule heterobifunctional degraders can effectively control protein levels and are useful research tools. We assembled proteolysis targeting chimeras (PROTACs) from a cereblon (CRBN) and a von-Hippel-Lindau (VHL) ligase ligand and demonstrated a PROTAC-induced heterodimerization of the two E3 ligases leading to unidirectional and efficient degradation of CRBN.

Discovery of ERD-308 as a Highly Potent Proteolysis Targeting Chimera (PROTAC) Degrader of Estrogen Receptor (ER)

The estrogen receptor (ER) is a validated target for the treatment of estrogen receptor-positive (ER+) breast cancer. Here, we describe the design, synthesis, and extensive structure-activity relationship (SAR) studies of small-molecule ERα degraders base