52815-19-7

Basic information

• Product Name: BOC-DL-3-AMINOBUTYRIC ACID
• Synonyms: 3-TERT-BUTOXYCARBONYLAMINO-BUTYRIC ACID;BOC-DL-3-AMINOBUTYRIC ACID;BOC-D,L-BETA-ABU-OH;BOC-DL-BETA-AMINOBUTYRIC ACID;N-BETA-T-BOC-D,L-BETA-AMINOBUTYRIC ACID;Boc-DL-3-aminobutanoic acid;3-((tert-Butoxycarbonyl)aMino)butanoic acid;3-(Boc-aMino)butanoic Acid
• CAS NO: 52815-19-7
• Molecular Formula: C₉H₁₇NO₄
• Molecular Weight: 203.24
• Product Categories: pharmacetical
• Mol File: 52815-19-7.mol
• Article Data: 19

Chemical Properties

• Melting Point: 98-100 °C
• Boiling Point: 339.5 °C at 760 mmHg
• Flash Point: 159.1 °C
• Appearance: /
• Density: 1.101 g/cm³
• Vapor Pressure: 1.69E-05mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 4.43±0.10(Predicted)
• CAS DataBase Reference: BOC-DL-3-AMINOBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: BOC-DL-3-AMINOBUTYRIC ACID(52815-19-7)
• EPA Substance Registry System: BOC-DL-3-AMINOBUTYRIC ACID(52815-19-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 52815-19-7(Hazardous Substances Data)

Usage

General Description

BOC-DL-3-AMINOBUTYRIC ACID, also known as tert-butyl 3-aminobutyrate or Under the IUPAC name (RS)-2-(tert-butoxycarbonylamino)butanoic acid, is a type of alpha-amino acid. It is commonly used in medicinal chemistry and biochemical research due to its properties as a protein-building element. BOC-DL-3-AMINOBUTYRIC ACID is widely used in the formulation of peptides and proteins. It is a high-quality, white or off-white crystalline powder with a molecular formula of C9H19NO4. It has molecular weight of 205.252 g/mol. It should be handled and stored carefully due to its reactive and potentially hazardous nature. It is typically soluble in water and produced synthetically for various laboratory and industrial applications.

InChI:InChI=1/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/p-1/t6-/m0/s1

Upstream product

• 163254-35-1 methyl 3-((tert-butoxycarbonyl)amino)butanoate 
• 2835-82-7 3-aminobutyric acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 848818-76-8 (R,S)-ethyl 3-((tert-butoxycarbonyl)amino)butanoate 
• 762-75-4 tert-butyl formate 

Downstream Products

• 158461-72-4 [2-(2-Methoxy-5-pyridin-2-yl-phenylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 158461-71-3 [2-(5-Chloro-2-pyridin-2-yl-phenylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 119289-77-9 2-<2-(N-Boc-3-aminobutyramido)-4-(methoxy)phenyl>pyridine 
• 119289-86-0 [1-Methyl-2-(5-methyl-2-pyridin-3-yl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester 
• 158461-92-8 [1-Methyl-2-(5-methyl-2-pyridin-4-yl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester 
• 158461-83-7 [2-(5-Hydroxy-2-pyridin-3-yl-phenylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 158461-78-0 [2-(5-Methoxy-2-pyridin-3-yl-phenylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 158461-91-7 [2-(5-Methoxy-2-pyridin-4-yl-phenylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 158461-82-6 [2-(2-Methoxy-5-pyridin-3-yl-phenylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 158461-93-9 [2-(2-Methoxy-5-pyridin-4-yl-phenylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 158461-73-5 [2-(2-Methoxy-6-pyridin-2-yl-phenylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 
• 158461-70-2 [1-Methyl-2-(2-pyridin-2-yl-5-trifluoromethyl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester 
• 158461-80-4 [1-Methyl-2-(2-pyridin-3-yl-5-trifluoromethyl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester 
• 158461-74-6 {1-Methyl-2-[2-pyridin-2-yl-5-(2,2,2-trifluoro-ethoxy)-phenylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester 

Relevant articles and documents

Bioisosteric Modification of To042: Synthesis and Evaluation of Promising Use-Dependent Inhibitors of Voltage-Gated Sodium Channels

Three analogues of To042, a tocainide-related lead compound recently reported for the treatment of myotonia, were synthesized and evaluated in vitro as skeletal muscle sodium channel blockers possibly endowed with enhanced use-dependent behavior. Patch-clamp experiments on hNav1.4 expressed in HEK293 cells showed that N-[(naphthalen-1-yl)methyl]-4-[(2,6-dimethyl)phenoxy]butan-2-amine, the aryloxyalkyl bioisostere of To042, exerted a higher use-dependent block than To042 thus being able to preferentially block the channels in over-excited membranes while preserving healthy tissue function. It also showed the lowest active transport across BBB according to the results of P-glycoprotein (P-gp) interacting activity evaluation and the highest cytoprotective effect on HeLa cells. Quantum mechanical calculations and dockings gave insights on the most probable conformation of the aryloxyalkyl bioisostere of To042 in solution and the target residues involved in the binding, respectively. Both approaches indicated the conformations that might be adopted in both the unbound and bound state of the ligand. Overall, N-[(naphthalen-1-yl)methyl]-4-[(2,6-dimethyl)phenoxy]butan-2-amine exhibits an interesting toxico-pharmacological profile and deserves further investigation.

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

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

Design, synthesis, and biological activities of 1-aryl-1,4-diazepan-2-one derivatives as novel triple reuptake inhibitors

A novel series of triple reuptake inhibitors were explored by ligand-based drug design. A cyclic structure was designed from cyclopropane derivative 5 using the core structure of reported monoamine reuptake inhibitors, leading to the formation of the 1-aryl-1,4-diazepan-2-one derivative 23j-S. Compound 23j-S was shown to act as a potent TRI with an excellent ADME-Tox profile. Oral administration of 23j-S significantly enhanced norepinephrine, dopamine, and serotonin levels in the mouse prefrontal cortex and showed significant antidepressant-like activity in tail suspension tests in mouse.