N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide | CAS No. 178603-78-6

N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide

Basic Information

CAS Number

178603-78-6

Molecular Formula

C24H33ClN4O8

Molecular Weight

541 g/mol

AD

Basic Physical Properties

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

InChI

InChI=1S/C24H33ClN4O8/c1-12(2)21(24(37)26-13(3)22(35)28-17(10-20(33)34)19(32)11-25)29-23(36)18(27-14(4)30)9-15-5-7-16(31)8-6-15/h5-8,12-13,17-18,21,31H,9-11H2,1-4H3,(H,26,37)(H,27,30)(H,28,35)(H,29,36)(H,33,34)/t13-,17-,18-,21-/m0/s1

InChIKey

UOUBHJRCKHLGFB-DGJUNBOTSA-N

LogP

-0.14769999999999622

Topological Polar Surface Area

190.99999999999997 Ų

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

845

Synonyms & References

English

  • acetyl-Tyr-Val-Ala-Asp chloromethyl ketone
  • HY-16990
  • Ac-Tyr-Val-Ala-Asp-chloromethylketone
  • (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-chloro-4-oxopentanoic acid
  • Ac-Tyr-Val-Ala-Asp-chloromethyl ketone
  • 178603-78-6
  • Ac-Tyr-Val-Ala-Asp-chloromethyl-ketone
  • acetyl-Tyr-Val-Ala-Asp chloromethylketone
  • Caspase 1 Inhibitor II
  • N-Ac-Tyr-Val-Ala-Asp-chloromethyl ketone
  • CS-0013353
  • Caspase-1 Inhibitor II - CAS 178603-78-6
  • Caspase-1 Inhibitor II;
  • J-011387
  • acetyl-Tyr-Val-Ala-Asp-chloromethylketone
  • BDBM513203
  • Ac-Tyr-Val-Ala-Asp chloromethyl ketone
  • N-acetyl-tyr-val-ala-asp-chloromethyl ketone
  • acetyl-Tyr-Val-Ala-Asp-chloromethyl ketone
  • (4S,7S,10S,13S)-13-(2-chloroacetyl)-4-(4-hydroxybenzyl)-7-isopropyl-10-methyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid
  • MFCD00237124
  • SCHEMBL18087495
  • acs.jmedchem.1c00409_ST.801
  • EX-A6262
  • Ac-YVAD-cmk, >=95% (HPLC)
  • Ac-Tyr-Val-Ala-Asp-CMK
  • E75500
  • AKOS040755207
  • acetyl-Tyr-Val-Ala-Asp-chloromethyl-ketone
  • Ac-YVAD-CMK
  • MS-29969

MDL Number

MFCD00237124

FAQ

What is N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide (CAS: 178603-78-6)?

N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide is a complex peptide compound with a specific structure. It has a molecular weight of approximately 654.46 g/mol and is characterized by its unique amino acid sequence and chemical modifications including acetylation and chlorination.

What are the main uses of N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide (CAS: 178603-78-6)?

N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide is primarily used in pharmaceutical research for studying protein-protein interactions and as a potential therapeutic agent. It may also have applications in chemical synthesis and as a tool compound in biochemistry.

Is N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide (CAS: 178603-78-6) safe?

N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide is generally safe when handled appropriately. However, it should be stored under proper conditions to avoid degradation. Protective gloves, goggles, and lab coats are recommended during handling to prevent skin, eye, and inhalation exposure. Ensure proper ventilation and avoid contact with food or other non-laboratory materials.

How should N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide (CAS: 178603-78-6) be stored?

N-Acetyl-L-tyrosyl-L-valyl-N-[(2S)-1-carboxy-4-chloro-3-oxo-2-butanyl]-L-alaninamide should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Store at room temperature (20-25°C) and avoid refrigeration or freezing, as these conditions may affect its stability. Handle with care to prevent spillage and ensure proper disposal of any unused material.

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