CAS 254750-02-2: (3S)-3-[(N-{[(2-tert-butylphenyl)amino](oxo)acetyl}-L-alanyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

Description: The chemical substance with the name "(3S)-3-[(N-{[(2-tert-butylphenyl)amino](oxo)acetyl}-L-alanyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid" and CAS number "254750-02-2" is a complex organic compound characterized by its multi-functional structure. It features a pentanoic acid backbone with a 4-oxo group, indicating the presence of a ketone functional group. The molecule contains an amino acid derivative, specifically L-alanine, which contributes to its biological activity. The presence of a tert-butylphenyl group suggests hydrophobic characteristics, while the tetrafluorophenoxy moiety introduces significant electronegativity and potential for strong interactions with biological targets. This compound may exhibit properties such as solubility in organic solvents, potential bioactivity, and specific reactivity due to its functional groups. Its intricate structure suggests potential applications in pharmaceuticals or biochemistry, particularly in the development of therapeutic agents. However, detailed studies would be necessary to fully understand its properties, mechanisms of action, and potential uses in various fields.

Formula: C₂₆H₂₇F₄N₃O₇

InChI: InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1

InChI key: InChIKey=SCVHJVCATBPIHN-SJCJKPOMSA-N

SMILES: O=C(NC=1C=CC=CC1C(C)(C)C)C(=O)NC(C(=O)NC(C(=O)COC=2C(F)=C(F)C=C(F)C2F)CC(=O)O)C

Synonyms:

• <span class="text-smallcaps">L</span>-Alaninamide, N-[2-(1,1-dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-
• Emricasan
• Idn 6556
• N-[2-(1,1-Dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-<span class="text-smallcaps">L</span>-alaninamide
• Pf 03491390
• pentanoic acid, 3-[[(2S)-2-[[2-[[2-(1,1-dimethylethyl)phenyl]amino]-1,2-dioxoethyl]amino]-1-oxopropyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)-, (3S)-

(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

CAS: 254750-02-2

• Formula: C₂₆H₂₇F₄N₃O₇
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 569.5021

Emricasan

CAS: 254750-02-2

Emricasan (IDN-6556) is a pan-caspase inhibitor with irreversible properties.

• Formula: C₂₆H₂₇F₄N₃O₇
• Purity: 98.13% - 99.11%
• Color and Shape: Solid
• Molecular weight: 569.5

Emricasan

CAS: 254750-02-2

• Formula: C₂₆H₂₇F₄N₃O₇
• Color and Shape: Neat
• Molecular weight: 569.502

PF 03491390

CAS: 254750-02-2

Pan-caspase inhibitor

• Formula: C₂₆H₂₇F₄N₃O₇
• Purity: Min. 95%
• Molecular weight: 569.5 g/mol