TAK-448
[CAS# 1234319-68-6]

Identification

• Name: TAK-448
• Synonyms: Ac-(d-Tyr46,Hyp47,Thr49,azaGly51,Arg(Me)53,Trp54)metastin (46-54);(2S)-2-[[(2S,4R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[(2S,3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide
• Molecular Formula: C₅₈H₈₀N₁₆O₁₄
• Molecular Weight: 1225.35
• CAS Registry Number: 1234319-68-6
• SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=NC)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](CC5=CC=C(C=C5)O)NC(=O)C)O)O

Properties

• Density: 1.5±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.679, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.