CAS 195514-80-8

2,2′-[[2-[(Dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] bis[1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperidinecarboxylate]

Description:

The chemical substance with the name "2,2′-[[2-[(Dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] bis[1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperidinecarboxylate]" and CAS number "195514-80-8" is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as imino, piperidine, and methoxy moieties. This compound is likely to exhibit significant biological activity due to its structural features, which may facilitate interactions with biological targets. Its solubility, stability, and reactivity can vary depending on the specific conditions, such as pH and solvent. The presence of dimethylamino groups suggests potential for basicity, while the methoxy groups may influence its lipophilicity and overall pharmacokinetic properties. Such compounds are often investigated for their potential applications in pharmaceuticals, particularly in the development of therapeutic agents. However, detailed studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₈₂H₁₀₇N₅O₂₀

InChI: InChI=1S/C82H107N5O20/c1-15-61(57-43-71(98-9)77(102-13)72(44-57)99-10)79(90)86-37-19-17-27-63(86)81(92)106-65(33-29-52-31-35-67(94-5)69(39-52)96-7)55-23-21-25-59(41-55)104-50-75(88)83-47-54(49-85(3)4)48-84-76(89)51-105-60-26-22-24-56(42-60)66(34-30-53-32-36-68(95-6)70(40-53)97-8)107-82(93)64-28-18-20-38-87(64)80(91)62(16-2)58-45-73(100-11)78(103-14)74(46-58)101-12/h21-26,31-32,35-36,39-46,54,61-66H,15-20,27-30,33-34,37-38,47-51H2,1-14H3,(H,83,88)(H,84,89)/t61-,62-,63-,64-,65+,66+/m0/s1

InChI key: InChIKey=NSBGUMKAXUXKGI-BPNHAYRBSA-N

SMILES: [C@H](C(=O)N1[C@H](C(O[C@H](CCC2=CC(OC)=C(OC)C=C2)C3=CC(OCC(NCC(CNC(COC4=CC([C@H](OC(=O)[C@H]5N(C([C@@H](CC)C6=CC(OC)=C(OC)C(OC)=C6)=O)CCCC5)CCC7=CC(OC)=C(OC)C=C7)=CC=C4)=O)CN(C)C)=O)=CC=C3)=O)CCCC1)(CC)C8=CC(OC)=C(OC)C(OC)=C8

Synonyms:

• 2-Piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, 2,2′-[[2-[(dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] ester, (2S,2′S)-
• AP 20187
• 2-Piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, [2-[(dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]] ester, (2S,2′S)-
• 2-Piperidinecarboxylic acid, 1-[1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, [2-[(dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[3-(3,4-dimethoxyphenyl)propylidene]] ester, [2S-[1(R*),2R*[S*[S*[1(R*),2R*]]]]]-
• 2,2′-[[2-[(Dimethylamino)methyl]-1,3-propanediyl]bis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene[(1R)-3-(3,4-dimethoxyphenyl)propylidene]]] bis[1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-2-piperidinecarboxylate]
• AP20187
• (1R,1'R)-(((((2-((dimethylamino)methyl)propane-1,3-diyl)bis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(oxy))bis(3,1-phenylene))bis(3-(3,4-dimethoxyphenyl)propane-1,1-diyl) (2S,2'S)-bis(1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate)
• B/B Homodimerizer
• AP20187;AP-20187;AP 20187
• (1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-[[2-[[[2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetyl]amino]methyl]-3-(dimethylamino)propyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate

AP20187

CAS: 195514-80-8

AP20187: Cell-permeable ligand dimerizing FKBP fusion proteins for signaling and gene expression control.

Formula: C₈₂H₁₀₇N₅O₂₀

Purity: 99.05% - 99.80%

Color and Shape: Solid

Molecular weight: 1482.75

Ref: TM-T14299

AP20187

CAS: 195514-80-8

Formula: C₈₂H₁₀₇N₅O₂₀

Purity: 99%

Molecular weight: 1482.7485

Ref: IN-DA00ABIM

AP20187

CAS: 195514-80-8

AP20187

Purity: ≥98%

Molecular weight: 1482.75g/mol

Ref: 54-BUP04709

AP20187

CAS: 195514-80-8

AP20187 is a synthetic small molecule that functions as a chemical dimerizer, originating from the FKBP-binding domain technology. Its mode of action relies on promoting the dimerization of proteins fused with FKBP domains. This dimerization process triggers downstream signaling pathways or protein interactions within cells, providing a tool for controlled manipulation of cellular processes.

Formula: C₈₂H₁₀₇N₅O₂₀

Purity: Min. 95%

Molecular weight: 1,482.75 g/mol

Ref: 3D-VHA51480