124072-61-3

Basic information

• Product Name: 3-(Methylamino)propanoic acid, N-BOC protected
• Synonyms: 3-(Methylamino)propanoic acid, N-BOC protected;N-BOC-3-(METHYLAMINO)PROPANOIC ACID;3-(t-Butoxycarbonyl)methylamino-propionic acid;N-(TERT-BUTOXYCARBONYL)-N-METHYL-BETA-ALANINE;3-[(TERT-BUTOXYCARBONYL)(METHYL)(AMINO)]PROPIONICACID;3-[(tert-Butoxycarbonyl)(methyl)amino]propanoic acid;3-{[2-(tert-butoxy)-2-oxoethyl]aMino}propanoic acid;3-(MethylaMino)propanoic aci
• CAS NO: 124072-61-3
• Molecular Formula: C₉H₁₇NO₄
• Molecular Weight: 203.24
• Mol File: 124072-61-3.mol
• Article Data: 13

Chemical Properties

• Melting Point: 59-62
• Boiling Point: 307.4 °C at 760 mmHg
• Flash Point: 139.7 °C
• Appearance: /
• Density: 1.113 g/cm³
• Vapor Pressure: 0.000164mmHg at 25°C
• Refractive Index: 1.468
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.46±0.10(Predicted)
• CAS DataBase Reference: 3-(Methylamino)propanoic acid, N-BOC protected(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Methylamino)propanoic acid, N-BOC protected(124072-61-3)
• EPA Substance Registry System: 3-(Methylamino)propanoic acid, N-BOC protected(124072-61-3)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 124072-61-3(Hazardous Substances Data)

Usage

Description

3-(Methylamino)propanoic acid, N-BOC protected is a chemical compound derived from propanoic acid, featuring a methylamino group attached to the third carbon of the carbon chain. The N-BOC protection of the amino group with a tert-butoxycarbonyl (BOC) group prevents undesired reactions or interactions, making it a versatile intermediate in organic synthesis and pharmaceutical research.

Uses

Used in Organic Synthesis:
3-(Methylamino)propanoic acid, N-BOC protected is used as a building block for the synthesis of various organic molecules. The N-BOC protection allows for selective reactions to occur at other sites on the molecule, while the amino group remains protected.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3-(Methylamino)propanoic acid, N-BOC protected is used as an intermediate for the development of pharmaceutical compounds. The N-BOC protection can be removed under specific conditions to reveal the active amino group, enabling further chemical reactions and the synthesis of target compounds with desired biological activities.
Used in Peptide Synthesis:
3-(Methylamino)propanoic acid, N-BOC protected is used as an amino acid building block in peptide synthesis. The N-BOC protection allows for the stepwise assembly of peptide chains without premature reactivity of the amino group, facilitating the synthesis of complex peptide structures with specific biological functions.

InChI:InChI=1/C9H17NO4/c1-9(2,3)14-8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)

Upstream product

• 98642-44-5 tert-butyl (3-hydroxypropyl)methylcarbamate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 119740-95-3 methyl 3-(N-tert-butoxycarbonyl-N-methyl)-aminopropionate 
• 2679-14-3 n-methyl-β-alanine 
• 54424-07-6 Ethyl 3-propionate 
• 3303-84-2 3-(tert-butyloxycarbonylamino)propionic acid 
• 74-88-4 methyl iodide 

Downstream Products

• 654651-65-7 Boc-MeβAla-OPh 
• 925924-01-2 tert-butyl {3-[(3-{3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-[(furan-2-ylcarbonyl)amino]pyridin-4-yl}phenyl)amino]-3-oxopropyl}methylcarbamate 
• 1426943-69-2 ethyl 5-[(tert-butoxycarbonyl)(methyl)amino]-3-(p-tolylamino)pent-2-enoate 
• 1426943-70-5 ethyl 5-[(tert-butoxycarbonyl)(methyl)amino]-3-[(4-methoxyphenyl)amino]pent-2-enoate 
• 223270-77-7 2-[3-(tert-butoxycarbonyl-methyl-amino)-propionyloxy]-4-methyl-pentanoic acid benzhydryl ester 
• 223270-79-9 2-[3-(tert-butoxycarbonyl-methyl-amino)-propionylamino]-4-methyl-pentanoic acid benzyl ester 
• 157974-11-3 {2-[((S)-1-Carbamoyl-2-phenyl-ethyl)-methyl-carbamoyl]-ethyl}-methyl-carbamic acid tert-butyl ester 
• 157974-10-2 [2-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-ethyl]-methyl-carbamic acid tert-butyl ester 
• 654651-66-8 3-(tert-butoxycarbonyl-methyl-amino)propionic acid benzyl ester 
• 1093868-76-8 tert-butyl 3-(2-(methoxycarbonyl)aminoethoxy)-3-(2-methyl-5-chlorophenyl)propyl(methyl)carbamate 
• 1093868-67-7 tert-butyl 3-(2-(methoxycarbonyl)aminoethoxy)-3-(3-chlorophenyl)propyl(methyl)carbamate 

Relevant articles and documents

In Vitro and Cellular Probes to Study PARP Enzyme Target Engagement

Poly(ADP-ribose) polymerase (PARP) enzymes use nicotinamide adenine dinucleotide (NAD+) to modify up to seven different amino acids with a single mono(ADP-ribose) unit (MARylation deposited by PARP monoenzymes) or branched poly(ADP-ribose) polymers (PARylation deposited by PARP polyenzymes). To enable the development of tool compounds for PARP monoenzymes and polyenzymes, we have developed active site probes for use in in vitro and cellular biophysical assays to characterize active site-directed inhibitors that compete for NAD+ binding. These assays are agnostic of the protein substrate for each PARP, overcoming a general lack of knowledge around the substrates for these enzymes. The in vitro assays use less enzyme than previously described activity assays, enabling discrimination of inhibitor potencies in the single-digit nanomolar range, and the cell-based assays can differentiate compounds with sub-nanomolar potencies and measure inhibitor residence time in live cells. Wigle et al. describe a versatile set of NAD+-competitive probes for PARP enzymes that are used to build high-throughput in vitro and cellular biophysical assays that enable inhibitor screening and determination of residence time.

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Provided herein are compounds and pharmaceutical compositions comprising said compounds that are useful for treating cancers. Specific cancers include those that are mediated by YAP/TAZ or those that are modulated by the interaction between YAP/TAZ and TEAD.

FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES

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