N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine

Basic Information

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CAS Number

144494-65-5

Molecular Formula

C22H36N2O5S

Molecular Weight

440.61 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

223-225°

Boiling Point

611.7°C at 760 mmHg

Density

1.154

Flash Point

323.7°C

Refractive Index

1.531

SMILES

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CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1

InChIKey

COKMIXFXJJXBQG-NRFANRHFSA-N

LogP

2.9505

Topological Polar Surface Area

104.73 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

579

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

N-(BUTYLSULFONYL)-O-[4-(4-PIPERIDINYL)BUTYL]-L-TYROSINE
Tirofiban [INN:BAN]
N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
2-S-(n-butylsulfonylamino)-3
AKOS015894972
(S)-2-(butylsulfonamido)-3-(4-(4-(piperidin-4-yl)butoxy)phenyl)propanoicacid
L700462
D08607
COKMIXFXJJXBQG-NRFANRHFSA-N
GGX234SI5H
TIROFIBAN [VANDF]
L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-
N-(n-butanesulfonyl)-O-(4-(4-piperidinyl)-butyl)-(s)-tyrosine
TIROFIBAN [HSDB]
tirofiban
(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
DTXCID7085221
MK-383
Agrastat
CHEMBL916
BRD-K37872686-311-01-6
SCHEMBL3685
NS00008567
HY-17369B
s3085
C07965
NCGC00263584-02
Agrastat (TN)
C22H36N2O5S
N-(butylsulfonyl)-O-
(S)-2-(butylsulfonamido)-3-(4-(4-(piperidin-4-yl)butoxy)phenyl)propanoic acid

MDL Number

MFCD05237246

Customs Code

2942000000

FAQ

What regulatory guidelines apply to N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine (CAS: 144494-65-5)?

N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine (CAS: 144494-65-5) falls under the regulatory purview of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in Europe, and FDA/EPA guidelines in the United States. It must be classified and labeled based on its specific hazards, and proper documentation and reporting are required for its handling and use.

Are there alternatives to N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine (CAS: 144494-65-5) in synthesis?

There are alternative reagents and compounds that can be used in synthesis processes, such as other amino acid derivatives or non-sulfonyl analogs. However, the choice of alternative depends on the specific requirements of the synthesis, including reactivity, solubility, and desired end-product properties.

What is the market or research trend for N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine (CAS: 144494-65-5)?

N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine (CAS: 144494-65-5) is currently being explored in research for its potential applications in pharmaceuticals and biotechnology. Market trends show increasing interest in novel compounds for drug development and therapeutic applications, driven by advancements in medicinal chemistry and personalized medicine.

How should waste containing N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine (CAS: 144494-65-5) be handled?

Waste containing N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine (CAS: 144494-65-5) should be collected and stored in appropriate containers, labeled with the chemical's name and hazards. It should then be disposed of through proper waste management channels, such as incineration or professional waste disposal services, in accordance with local environmental regulations and guidelines.