138165-75-0

Basic information

• Product Name: 3-[(T-BUTOXYCARBONYL)AMINO]-5-METHYLHEXANOICACID
• Synonyms: 3-[(T-BUTOXYCARBONYL)AMINO]-5-METHYLHEXANOICACID;3-Boc-amino-5-methylhexanoic acid;Hexanoic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-5-Methyl-;3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methylHexanoic acid
• CAS NO: 138165-75-0
• Molecular Formula: C₁₂H₂₃NO₄
• Molecular Weight: 245.32
• Mol File: 138165-75-0.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 374.3°C at 760 mmHg
• Flash Point: 180.2°C
• Appearance: /
• Density: 1.046g/cm³
• Vapor Pressure: 1.24E-06mmHg at 25°C
• Refractive Index: 1.462
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-[(T-BUTOXYCARBONYL)AMINO]-5-METHYLHEXANOICACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(T-BUTOXYCARBONYL)AMINO]-5-METHYLHEXANOICACID(138165-75-0)
• EPA Substance Registry System: 3-[(T-BUTOXYCARBONYL)AMINO]-5-METHYLHEXANOICACID(138165-75-0)

Safety Data

• Hazardous Substances Data: 138165-75-0(Hazardous Substances Data)

Usage

General Description

3-[(T-Butoxycarbonyl)amino]-5-methylhexanoic acid is a chemical compound that can be referred to as Boc-amino acid. It is a derivative of the amino acid valine and is commonly used as a building block in peptide synthesis. The chemical structure includes a t-butoxycarbonyl (Boc) protecting group attached to the amino group of valine, allowing for selective deprotection and further modification during peptide assembly. 3-[(T-BUTOXYCARBONYL)AMINO]-5-METHYLHEXANOICACID is often employed in the production of pharmaceuticals, agrochemicals, and biotechnology products, due to its role in the creation of peptides with specific sequences and properties. Additionally, it is utilized in research and development applications within the fields of chemistry and biochemistry.

InChI:InChI=1/C12H23NO4/c1-8(2)6-9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)

Upstream product

• 22818-43-5 (S)-3-amino-5-methylhexanoic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 13139-15-6 N-tert-butoxycarbonyl-L-leucine 
• 3653-34-7 3-amino-5-methylhexanoic acid 
• 109687-65-2 (S)-(-)-1,1-dimethylethyl <3-methyl-1-<<(methylsulfonyl)oxy>methyl>butyl>carbamate 
• 82010-31-9 (S)-(1-hydroxymethyl-3-methylbutyl)carbamic acid tert-butyl ester 
• 172695-24-8 (S)-3-<(tert-butoxycarbonyl)amino>-5-methylhexanenitrile 
• 66866-44-2 Boc-Leu-O-COO-isoBu 
• 146398-15-4 (S)-tert-butyl 3-<(benzyloxycarbonyl)amino>-5-methylhexanoate 
• 118247-68-0 N-Benzyloxycarbonyl-L-Homoleucine 
• 271600-17-0 {(S)-3-Methyl-1-[2-oxo-2-((1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilanyloxy-bicyclo[2.2.1]hept-2-yl)-ethyl]-butyl}-carbamic acid benzyl ester 
• 41542-31-8 N-hydroxy-3-methylbutanimidoyl chloride 
• 5775-74-6 3-methyl-butyraldehyde oxime 
• 748793-55-7 (E)-2-hydroxy-2,7-dimethyloct-4-en-3-one 

Downstream Products

• 181075-66-1 methyl (3S)-3-amino-5-methylhexanoate 
• 884308-88-7 C₂₇H₄₀F₃N₃O₅S 
• 1024618-31-2 C₁₈H₃₄N₂O₃ 
• 132549-44-1 (E)-(S)-2-Benzyl-5-tert-butoxycarbonylamino-7-methyl-oct-2-enoic acid ethyl ester 
• 132584-54-4 (Z)-(S)-2-Benzyl-5-tert-butoxycarbonylamino-7-methyl-oct-2-enoic acid ethyl ester 
• 132549-47-4 Boc-L-Leu-Ψ(CH2-CH2)-L-Phe-OH 
• 132549-47-4 Boc-L-Leu-Ψ(CH2-CH2)-D-Phe-OH 
• 132549-45-2 (3S,6R)-3-benzyl 6-isobutyl-piperidin-2-one 
• 132549-46-3 (3R,6R)-3-benzyl 6-isobutyl-piperidin-2-one 
• 132549-49-6 (R)-2-Benzyl-5-tert-butoxycarbonylamino-7-methyl-octanoic acid ethyl ester 
• 200949-49-1 4-[(S)-2-Benzyloxycarbonylamino-2-((1R,4R)-4-carbamoyl-1-isobutyl-6-methyl-heptylcarbamoyl)-ethyl]-imidazole-1-carboxylic acid benzyl ester 
• 200949-50-4 Boc-D-Phe-Gln-Trp-Ala-Val-Gly-His-LeuΨ(CH2CH2)D-LeuNH2 

Relevant articles and documents

Protein-protein interface mimicry by an oxazoline piperidine-2,4-dione

Representative minimalist mimics 1 were prepared from amino acids. Scaffold 1 was not designed to mimic any particular secondary structure, but simulated accessible conformations of this material were compared with common ideal secondary structures and with >125000 different protein-protein interaction (PPI) interfaces. This data mining exercise indicates that scaffolds 1 can mimic features of sheet-turn-sheets, somewhat fewer helical motifs, and numerous PPI interface regions that do not resemble any particular secondary structure.

Discovery of the fibrinolysis inhibitor AZD6564, acting via interference of a protein-protein interaction

A class of novel oral fibrinolysis inhibitors has been discovered, which are lysine mimetics containing an isoxazolone as a carboxylic acid isostere. As evidenced by X-ray crystallography the inhibitors bind to the lysine binding site in plasmin thus preventing plasmin from binding to fibrin, hence blocking the protein-protein interaction. Optimization of the series, focusing on potency in human buffer and plasma clotlysis assays, permeability, and GABAa selectivity, led to the discovery of AZD6564 (19) displaying an in vitro human plasma clot lysis IC50 of 0.44 μM, no detectable activity against GABAa, and with DMPK properties leading to a predicted dose of 340 mg twice a day oral dosing in humans.

ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS

or a pharmaceutically suitable salt thereof, wherein, R1 and R2 independently are hydrogen, deuterium, aryl, hetero aryl, C1-C8 alkyl, optionally being substituted with one or more substituents independently being R3,R3 is an aryl, hetero aryl, fluorine(s), a C1-C6 alkyl containing one or more fluorine, a C1-C6 alkyl containing one or more deuterium, a C1-C6 alkyl containing hydroxy, the aryl and heteroaryl optionally being substituted with one or more halogen, a fluorinated alkoxy, a fluorinated alkyl, a sulfonyl, one or more deuterium, a C1-6 alkyl, a C1-6 alkoxy, a nitrile,or R3 is a C1-6 alkyl optionally substituted with one or more of the following groups: COOR4, OCOR4, CONR5R6, NR5COR6, OR4;wherein, R4 is a C1-10 alkyl optionally substituted with one or more fluorine, deuterium, alkoxy, arylcarboxylate, alkyl carboxylate;R5 and R6 are independently selected from hydrogen, alkyl or they may together form a 4-8 membered carbon ring;or R1 and R2 form a 3-10 membered carbon ring optionally comprising O or N and optionally substituted with a C1-10 alkyl or aryl, hetero aryl optionally substituted with R3.