CAS 845256-65-7

1H-Pyrrole-1-carboxamide,4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methyl-4-piperidinyl]-2,5-dihydro-2-(hydroxymethyl)-N-methyl-2-phenyl-,(2S)-

Description:

1H-Pyrrole-1-carboxamide, 4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methyl-4-piperidinyl]-2,5-dihydro-2-(hydroxymethyl)-N-methyl-2-phenyl-, (2S)-, identified by CAS number 845256-65-7, is a synthetic organic compound characterized by its complex molecular structure, which includes a pyrrole ring, a carboxamide functional group, and multiple fluorinated aromatic and piperidine moieties. This compound exhibits properties typical of heterocyclic amides, including potential biological activity due to its structural features that may interact with biological targets. The presence of fluorine atoms often enhances lipophilicity and metabolic stability, which can influence the compound's pharmacokinetic properties. Additionally, the hydroxymethyl group may contribute to solubility and reactivity. Such compounds are often investigated for their potential therapeutic applications, particularly in the fields of medicinal chemistry and drug development. However, specific biological activity, toxicity, and other characteristics would require empirical studies to elucidate their full profile.

Formula: C₂₅H₂₈F₃N₃O₂

InChI: InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1

InChI key: MYBGWENAVMIGMM-GIFXNVAJSA-N

SMILES: CN1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F

Synonyms:

• Alr-3456

MK-0731

CAS: 845256-65-7

MK-0731 inhibits kinesin spindle protein, disrupting mitosis and triggering apoptosis in KSP-overexpressing tumor cells.

Formula: C₂₅H₂₈F₃N₃O₂

Color and Shape: Solid

Molecular weight: 459.5

Ref: TM-T21321

MK 0731

CAS: 845256-65-7

Kinesin spindle protein (KSP) inhibitor

Formula: C₂₅H₂₈F₃N₃O₂

Purity: Min. 98 Area-%

Color and Shape: Powder

Molecular weight: 459.5 g/mol

Ref: 3D-FM104082