CAS 159857-80-4

N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide

Description:

N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide, with CAS number 159857-80-4, is a complex organic compound characterized by its multi-functional structure, which includes amino acids and a pyrrole derivative. This substance features a pyrrolidine ring that contributes to its potential biological activity, particularly in medicinal chemistry. The presence of various functional groups, such as amides and hydroxymethyl groups, suggests that it may exhibit significant interactions with biological targets, potentially influencing protein synthesis or enzyme activity. Its structural complexity indicates that it may be of interest in drug development, particularly for therapeutic applications. Additionally, the compound's solubility, stability, and reactivity would be influenced by its specific functional groups and overall molecular architecture. As with many compounds of this nature, further studies would be necessary to elucidate its pharmacological properties and potential applications in various fields, including biochemistry and pharmaceuticals.

Formula: C₂₈H₄₀N₆O₇

InChI: InChI=1S/C28H40N6O7/c1-18(2)25(33-22(36)8-4-3-5-16-34-23(37)13-14-24(34)38)27(40)32-21(7-6-15-30-28(29)41)26(39)31-20-11-9-19(17-35)10-12-20/h9-14,18,21,25,35H,3-8,15-17H2,1-2H3,(H,31,39)(H,32,40)(H,33,36)(H3,29,30,41)/t21-,25-/m0/s1

InChI key: InChIKey=AMKBTTRWLGVRER-OFVILXPXSA-N

SMILES: [C@@H](NC([C@@H](NC(CCCCCN1C(=O)C=CC1=O)=O)[C@H](C)C)=O)(C(NC2=CC=C(CO)C=C2)=O)CCCNC(N)=O

Synonyms:

• 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino]-1-oxo-5-ureidopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl)hexanamide
• N-[(1S)-1-[[(1S)-4-(carbamoylamino)-1-[[4-(hydroxymethyl)phenyl]carbamoyl]butyl]carbamoyl]-2-methylpropyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
• L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-
• N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide

MC-Val-Cit-PAB-OH

CAS: 159857-80-4

Formula: C₂₈H₄₀N₆O₇

Purity: >98.0%(HPLC)(N)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 572.66

Ref: 3B-M3224

L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-

CAS: 159857-80-4

Formula: C₂₈H₄₀N₆O₇

Purity: 99%

Color and Shape: Solid

Molecular weight: 572.6532

Ref: IN-DA001RG0

MC-Val-Cit-PAB

CAS: 159857-80-4

MC-Val-Cit-PAB

Purity: ≥98%

Molecular weight: 572.65g/mol

Ref: 54-BUP14209

Mc-Val-Cit-Pab

CAS: 159857-80-4

Mc-Val-Cit-Pab

Purity: 98%

Molecular weight: 572.66g/mol

Ref: 54-OR1013721

MC-Val-Cit-PAB

CAS: 159857-80-4

MC-Val-Cit-PAB: cathepsin-cleavable ADC linker used in FDA-approved brentuximab vedotin.

Formula: C₂₈H₄₀N₆O₇

Purity: 98.24%

Color and Shape: Solid

Molecular weight: 572.65

Ref: TM-T5149

MC-Val-Cit-PAB-OH

CAS: 159857-80-4

Val-Cit peptide linker is commonly used in bioconjugation (e.g. ADCs). It is enzymatically cleavable for selective payload release.

Formula: C₂₈H₄₀N₆O₇

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 572.65 g/mol

Ref: 3D-FM166521

MC-Val-Cit-PAB

CAS: 159857-80-4

Purity: 98%

Molecular weight: 572.6630249

Ref: 10-F867136