Tfa-VAL-TYR-VAL-OH

Basic Information

View in Editor

CAS Number

64577-63-5

Molecular Formula

C21H28F3N3O6

Molecular Weight

475.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.299±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

View in Editor

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C21H28F3N3O6/c1-10(2)15(27-20(33)21(22,23)24)18(30)25-14(9-12-5-7-13(28)8-6-12)17(29)26-16(11(3)4)19(31)32/h5-8,10-11,14-16,28H,9H2,1-4H3,(H,25,30)(H,26,29)(H,27,33)(H,31,32)/t14-,15-,16-/m0/s1

InChIKey

SAVSLMGBKQKUAV-JYJNAYRXSA-N

LogP

1.347999999999999

Topological Polar Surface Area

144.83 Å²

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

706

Synonyms & References

English

E6WT9V3SGO
CHEMBL3138715
IP 2000
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
UNII-E6WT9V3SGO
64577-63-5
MFCD00056345
CS-0863818
Ecm-protect
(S)-2-((S)-3-(4-hydroxyphenyl)-2-((S)-3-methyl-2-(2,2,2-trifluoroacetamido)butanamido)propanamido)-3-methylbutanoic acid
L-Valine, N-(2,2,2-trifluoroacetyl)-L-valyl-L-tyrosyl-
Trifluoroacetyl tripeptide-2 [INCI]
L-Valine, N-(trifluoroacetyl)-L-valyl-L-tyrosyl-
L-Valine, N-(N-(N-(trifluoroacetyl)-L-valyl)-L-tyrosyl)-
Tfa-VAL-TYR-VAL-OH
HY-P5238
N-(2,2,2-Trifluoroacetyl)-L-valyl-L-tyrosyl-L-valine
Trifluoroacetyl Tripeptide-2
L-Valine,N-(2,2,2-trifluoroacetyl)-L-valyl-L-tyrosyl-
N-(Trifluoroacetyl)valyltyrosylvaline
TFA-VAL-TYR-VAL-OH
Tripeptide-2

MDL Number

MFCD00056345

FAQ

What are the physical and chemical properties of Tfa-VAL-TYR-VAL-OH (CAS: 64577-63-5)?

Tfa-VAL-TYR-VAL-OH (CAS: 64577-63-5) is a crystalline compound with a molecular weight of approximately 500 g/mol. It has a low solubility in water but is soluble in common organic solvents like DMSO and DMF. This compound shows moderate reactivity, particularly in esterifications and amidations. It is stable under normal conditions but should be stored in a cool, dark place to avoid degradation.

How is Tfa-VAL-TYR-VAL-OH (CAS: 64577-63-5) typically synthesized?

Tfa-VAL-TYR-VAL-OH (CAS: 64577-63-5) is synthesized through peptide coupling reactions. Commonly, the synthesis involves the sequential coupling of individual amino acid equivalents (TFA-protected) using HATU or EDC/NHS as coupling reagents. The coupling is typically performed in anhydrous organic solvents like DCM or DMF. The final product is obtained with high selectivity and yield, usually around 80-90%.

What industries use Tfa-VAL-TYR-VAL-OH (CAS: 64577-63-5)?

Tfa-VAL-TYR-VAL-OH (CAS: 64577-63-5) is primarily used in the pharmaceutical industry for drug development, particularly in peptide synthesis and modification. It is also utilized in the polymer industry for the synthesis of functional polymers and in the semiconductor industry for material characterization due to its unique chemical properties.

What precautions should be taken when handling Tfa-VAL-TYR-VAL-OH (CAS: 64577-63-5)?

When handling Tfa-VAL-TYR-VAL-OH (CAS: 64577-63-5), it is essential to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, use appropriate spill kits and dispose of the material according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.