N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine

Basic Information

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CAS Number

76880-29-0

Molecular Formula

C13H17N3O6S2

Molecular Weight

375.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

~160 °C (dec.)

Boiling Point

553.9°C at 760 mmHg

Density

1.44±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

288.8°C

Refractive Index

1.615

SMILES

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CC(C)(C)OC(=O)NC(CSSC1=C(C=CC=N1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H17N3O6S2/c1-13(2,3)22-12(19)15-8(11(17)18)7-23-24-10-9(16(20)21)5-4-6-14-10/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)/t8-/m0/s1

InChIKey

OVTLOLNDKQUMRH-QMMMGPOBSA-N

LogP

3.62210

Complexity

466

Safety Information

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Sensitiveness

Moisture Sensitive

Synonyms & References

English

t-Bcnp
HY-W141779
AS-49022
SCHEMBL8607169
A917311
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitropyridin-2-yl)disulfanyl]propanoic acid
Boc-cys(npys)
AKOS025289406
t-Butyloxycarbonyl-(S-(3-nitro-2-pyridinesulfenyl))cysteine
Boc-cys(npys)-OH
N-alpha-t-Butyloxycarbonyl-S-(3-nitro-2-pyridylthio)-L-cysteine (Boc-L-Cys(Npys)-OH)
(R)-2-((tert-Butoxycarbonyl)amino)-3-((3-nitropyridin-2-yl)disulfanyl)propanoic acid
Boc-Cys(Npys)-OH, >=99.0% (TLC)
MFCD00153301
Boc-L-Cys(NPys)-OH
N(alpha)-Boc-S-(3-nitro-2-pyridylthio)-L-cysteine
Nalpha-Boc-S-(3-nitro-2-pyridylthio)-L-cysteine
L-Alanine, N-((1,1-dimethylethoxy)carbonyl)-3-((3-nitro-2-pyridinyl)dithio)-
DTXSID10227685
(R)-2-(tert-butoxycarbonylamino)-3-((3-nitropyridin-2-yl)disulfanyl)propanoic acid
N-(tert-Butoxycarbonyl)-S-((3-nitropyridin-2-yl)thio)-L-cysteine
76880-29-0
FD21291
CS-0201577
BCNP
L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-3-[(3-nitro-2-pyridinyl)dithio]-
BOC-CYS(NPYS)-OH
Boc-L-Cys(Npys)-OH
15554_ALDRICH
AC1L2YY3
AC1Q1MSX

MDL Number

MFCD00153301

FAQ

What regulatory guidelines apply to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine (CAS: 76880-29-0)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine (CAS: 76880-29-0) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. It must be handled according to specific safety data sheet (SDS) guidelines and proper hazardous waste management protocols.

Are there alternatives to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine in synthesis?

Alternatives to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine in synthesis include other analogs and isomers with similar functional groups. Common alternatives include various L-amino acids and related compounds, which can serve similar roles in different chemical reactions.

What is the market or research trend for N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine?

The market and research trend for N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine is focused on its applications in pharmaceuticals and research tools. There is growing interest in exploring its potential in drug discovery and development, particularly in areas related to anti-tumor and anti-inflammatory treatments.

How should waste containing N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine (CAS: 76880-29-0) be handled?

Waste containing N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-[(3-nitro-2-pyridinyl)disulfanyl]-L-alanine (CAS: 76880-29-0) should be collected and disposed of in accordance with local and international waste management regulations. It is recommended to use incineration or professional waste disposal services to ensure proper handling and minimize environmental impact.