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Boc-DL-3-Aminoisobutyric acid is a synthetic compound that features a Boc (tert-butoxycarbonyl) protecting group, a DL-3-aminoisobutyric acid core, and a carboxylic acid functional group. The Boc group shields the amine functionality of the molecule, and the DL-3-aminoisobutyric acid core is a non-proteinogenic amino acid with an isobutyl side chain. Boc-DL-3-Aminoisobutyric acid is widely utilized in peptide synthesis, serving as a building block for the assembly of complex peptides. Its distinctive structure and stability render it an invaluable asset in medicinal chemistry and drug development.

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  • 16948-10-0 Structure
  • Basic information

    1. Product Name: Boc-DL-3-Aminoisobutyric acid
    2. Synonyms: Boc-DL-3-Aminoisobutyric acid;3-(tert-butoxycarbonylamino)-2-methylpropanoic acid;REF DUPL: Boc-DL-3-Aminoisobutyric acid;Boc-DL-3-AMinoisobutyric acid Boc-DL-3-AMinoisobutyric acid;Propanoic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-2-Methyl-, (±)-;3-(BOC-AMINO)-2-METHYLPROPANOIC ACID;3-(tert-butoxycarbonyl)-2-methylpropanoic acid
    3. CAS NO:16948-10-0
    4. Molecular Formula: C9H17NO4
    5. Molecular Weight: 203.23558
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 16948-10-0.mol
  • Chemical Properties

    1. Melting Point: 89-90℃ (ethyl ether pentane )
    2. Boiling Point: 339.5°C at 760 mmHg
    3. Flash Point: 159.1°C
    4. Appearance: /
    5. Density: 1.101±0.06 g/cm3 (20 ºC 760 Torr)
    6. Vapor Pressure: 1.69E-05mmHg at 25°C
    7. Refractive Index: 1.46
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 4.53±0.10(Predicted)
    11. CAS DataBase Reference: Boc-DL-3-Aminoisobutyric acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: Boc-DL-3-Aminoisobutyric acid(16948-10-0)
    13. EPA Substance Registry System: Boc-DL-3-Aminoisobutyric acid(16948-10-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 16948-10-0(Hazardous Substances Data)

16948-10-0 Usage

Uses

Used in Pharmaceutical Industry:
Boc-DL-3-Aminoisobutyric acid is used as a building block in peptide synthesis for the development of novel pharmaceuticals. Its unique structure and stability contribute to the creation of complex peptides with potential therapeutic applications.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, Boc-DL-3-Aminoisobutyric acid is employed as a key component in the synthesis of bioactive peptides. Its incorporation into peptide sequences allows for the exploration of new chemical space and the discovery of compounds with specific biological activities.
Used in Drug Development:
Boc-DL-3-Aminoisobutyric acid is utilized in drug development as a component of peptide-based drugs. Its presence in the peptide sequence can influence the pharmacokinetic and pharmacodynamic properties of the drug, potentially enhancing its efficacy and safety profile.
Used in Chemical Synthesis:
Boc-DL-3-Aminoisobutyric acid is used as a reagent in various chemical synthesis processes. Its protected amine group and carboxylic acid functionality enable the formation of diverse chemical structures, broadening the scope of synthetic chemistry.
Used in Biochemistry and Molecular Biology:
In biochemistry and molecular biology, Boc-DL-3-Aminoisobutyric acid is employed as a non-natural amino acid for the study of protein structure and function. Its incorporation into proteins can provide insights into the role of amino acid side chains in protein folding, stability, and interactions with other biomolecules.

Check Digit Verification of cas no

The CAS Registry Mumber 16948-10-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,9,4 and 8 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 16948-10:
(7*1)+(6*6)+(5*9)+(4*4)+(3*8)+(2*1)+(1*0)=130
130 % 10 = 0
So 16948-10-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)

16948-10-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

1.2 Other means of identification

Product number -
Other names Boc-DL-3-Aminoisobutyric acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16948-10-0 SDS

16948-10-0Relevant articles and documents

Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicines

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Paragraph 0482; 0483; 0484; 0485, (2018/09/08)

The present invention relates to an amine compound for inhibiting SSAO/VAP-1 and application thereof in medicines. In particular, the present invention relates to an amine compound for inhibiting a semicarbazide-sensitive oxidase (SSAO) and/or vascular adhesion protein-1 (VAP-1) inhibitor, or a pharmaceutically acceptable salt thereof, a stereoisomer or an/a E/Z isomer, further relates to a pharmaceutical composition containing the amine compound. The invention further relates to the application of the amine compound and the pharmaceutical composition in manufacture of the medicines for treatment of inflammation, inflammation-related diseases and immune diseases.

NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE

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Page/Page column 163, (2017/06/30)

The present invention relates to cryptophycin compounds of formula (I). The invention also relates to cryptophycin payloads, to cryptophycin conjugates, to compositions containing them and to their therapeutic use, especially as anticancer agents. The inv

Direct C-H alkylation of naphthoquinones with amino acids through a revisited Kochi-Anderson radical decarboxylation: Trends in reactivity and applications

Naturale, Guillaume,Lamblin, Marc,Commandeur, Claude,Dessolin, Jean,Felpin, Francois-Xavier

supporting information, p. 5774 - 5788,15 (2020/09/15)

In our ongoing research program into the discovery of new anticancer drugs, we were interested in the preparation of naphthoquinone scaffolds bearing aminoalkyl side-chains. Following this aim, we revisited the Kochi-Anderson radical decarboxylation of amino acids in order to set up a versatile route to the direct functionalization of naphthoquinones. The best reaction conditions were applied to a selected series of compounds in a systematic methodological study which allowed us to establish important trends in reactivity. We found that α-substituted β-amino acids were the most suitable substrates for the radical addition. In contrast, α-amino acids gave modest results. The influence of the amine protecting groups on the reaction outcome has also been studied. This practical procedure allows the introduction of various unsymmetrical moieties, including orthogonally protected linear aminoalkyl chains or chiral dipeptidic chains, and opens the door to a wide scope of easily accessible chemical diversity.

New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors

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Page/Page column 19, (2011/11/07)

New 7,8-dihydro-1,6-naphthyridin-5(6H)-one derivatives derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of the phosphodiesterase IV (PDE4).

PROKINETICIN RECEPTOR ANTAGONISTS AND USES THEREOF

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Page/Page column 28, (2010/08/04)

Contemplated compounds, compositions, and methods of prokineticin antagonists are presented where a prokineticin antagonist is used in the treatment and prevention of various conditions and disorders, and especially type II diabetes.

Exploring the original proposed biosynthesis of (+)-symbioimine: Remote exocyclic stereocontrol in a type i IMDA reaction

Burke, Jason P.,Sabat, Michal,Iovan, Diana A.,Myers, William H.,Chruma, Jason J.

supporting information; experimental part, p. 3192 - 3195 (2010/10/04)

(Figure Presented) The originally proposed biosynthesis of (+)-symbioimine was explored, resulting in the successful intramolecular Diels-Alder (IMDA) cyclization of an appropriate (E,E,E)-1,7,9-decatrien-3-one. In contrast to the originally proposed bios

One-pot synthesis of β-amino acid derivatives via addition of bis(O-silyl) ketene acetals on iminium salts

Moumné, Roba,Denise, Bernard,Parlier, Andrée,Lavielle, Solange,Rudler, Henri,Karoyan, Philippe

, p. 8277 - 8280 (2008/03/30)

We report here our findings on a new and highly efficient strategy for the synthesis of β-amino acids involving the addition of bis(O-silyl) ketene acetals on Mannich type iminium electrophiles.

Efficient synthesis of β2-amino acid by homologation of α-amino acids involving the reformatsky reaction and Mannich-type imminium electrophile

Moumne, Roba,Lavielle, Solange,Karoyan, Philippe

, p. 3332 - 3334 (2007/10/03)

Development of new methods for the synthesis of β-amino acids is important as polymers of these compounds are promising peptidomimetic candidates in medicinal chemistry. We report here our findings on a new and highly efficient general strategy for the synthesis of β2-amino acids by homologation of α-amino acids, involving the Reformatsky reaction and Mannich-type imminium electrophile.

PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS

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Page/Page column 25, (2010/02/10)

Pyridylpyrrole derivatives of formula (I) and pharmaceutically acceptable salts thereof, as defined in the specification, and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treat

PHARMACEUTICAL COMPOUNDS

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, (2008/06/13)

The invention provides novel cryptophycin compounds which can be useful for disrupting the microtubulin system, as antineoplastic agents, and for the treatment of cancer. The invention further provides a formulation for administering the novel cryptophycin compounds.

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