CAS 191868-14-1: N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenylbenzeneacetamide 2,2,2-trifluoroacetate (1:1)

Description: N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenylbenzeneacetamide 2,2,2-trifluoroacetate (1:1), with CAS number 191868-14-1, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amides and amino groups. This compound is likely to exhibit properties typical of amide derivatives, including potential solubility in polar solvents and the ability to form hydrogen bonds due to the presence of amino and carbonyl functionalities. The trifluoroacetate component suggests that it may possess enhanced stability and solubility characteristics, as trifluoroacetate salts are often more soluble in organic solvents. Additionally, the presence of multiple aromatic rings may contribute to its hydrophobic character, influencing its interaction with biological systems. Such compounds are often of interest in medicinal chemistry, potentially serving as drug candidates or intermediates in the synthesis of pharmaceuticals. However, specific physical and chemical properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.

Formula: C₂₉H₃₅N₇O₃·C₂HF₃O₂

InChI: InChI=1S/C29H35N7O3.C2HF3O2/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39);(H,6,7)/t24-;/m1./s1

InChI key: InChIKey=FBMCYYWIBYEOST-GJFSDDNBSA-N

SMILES: O=C(N)NCC1=CC=C(C=C1)CNC(=O)C(NC(=O)C(C=2C=CC=CC2)C=3C=CC=CC3)CCCNC(=N)N.O=C(O)C(F)(F)F

Synonyms:

• Benzeneacetamide, N-[(1R)-1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-, 2,2,2-trifluoroacetate (1:1)
• Benzeneacetamide, N-[(1R)-1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-, mono(trifluoroacetate)
• Benzeneacetamide, N-[1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-, (R)-, mono(trifluoroacetate)
• Bibo-3304
• N-[(1R)-1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenylbenzeneacetamide 2,2,2-trifluoroacetate (1:1)

BIBO3304 TFA

CAS: 191868-14-1

BIBO3304 TFA: Oral, selective NPY Y1 receptor blocker; IC50: 0.38 nM (human), 0.72 nM (rat).

• Formula: C₃₁H₃₆F₃N₇O₅
• Purity: 99.50%
• Color and Shape: Solid
• Molecular weight: 643.66

Benzeneacetamide, N-[(1R)-1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-α-phenyl-, 2,2,2-trifluoroacetate (1:1)

CAS: 191868-14-1

• Formula: C₃₁H₃₆F₃N₇O₅
• Purity: %
• Color and Shape: Solid
• Molecular weight: 643.6566