CAS 1472611-45-2

1-Pyrrolidinecarboxamide, N-[3-[[5-iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-, hydrochloride (1:1)

Description:

1-Pyrrolidinecarboxamide, N-[3-[[5-iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-, hydrochloride (1:1) is a complex organic compound characterized by its multi-functional structure, which includes a pyrrolidine ring, a carboxamide group, and various aromatic and heterocyclic moieties. The presence of iodine in its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as halogenated compounds often exhibit enhanced biological activity. The hydrochloride salt form indicates that the compound is likely soluble in water, which is advantageous for biological assays and formulations. Its intricate arrangement of functional groups may contribute to specific interactions with biological targets, making it a candidate for further investigation in drug discovery. Additionally, the compound's synthesis and characterization would require advanced techniques such as NMR spectroscopy, mass spectrometry, and possibly X-ray crystallography to elucidate its three-dimensional structure and confirm its purity. Overall, this compound exemplifies the complexity often found in modern medicinal chemistry.

Formula: C₂₃H₂₆IN₇O₂S·ClH

InChI: InChI=1S/C23H26IN7O2S.ClH/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31;/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30);1H

InChI key: InChIKey=KDSWLWHEZMPRTQ-UHFFFAOYSA-N

SMILES: N(C=1N=C(NCCCNC(=O)C2=CC=CS2)C(I)=CN1)C3=CC(NC(=O)N4CCCC4)=CC=C3.Cl

Synonyms:

• 1-Pyrrolidinecarboxamide, N-[3-[[5-iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-, hydrochloride (1:1)

BX-795 hydrochloride

CAS: 1472611-45-2

BX-795 hydrochloride is a TBK1 and IKKε inhibitor. BX-795 is a potential maternal embryonic leucine zipper kinase inhibitor.

Formula: C₂₃H₂₇ClIN₇O₂S

Color and Shape: Solid

Molecular weight: 627.93

Ref: TM-T70578