CAS 1798871-31-4

2-[[2-Fluoro-4-[[(2-fluoro-3-nitrophenyl)methyl]sulfonyl]phenyl]thio]-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-piperidinyl)-4-pyrimidinamine

Description:

The chemical substance known as 2-[[2-Fluoro-4-[[(2-fluoro-3-nitrophenyl)methyl]sulfonyl]phenyl]thio]-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-piperidinyl)-4-pyrimidinamine, with CAS number 1798871-31-4, is a complex organic compound characterized by its multi-functional groups and specific structural features. It contains a pyrimidine core, which is a six-membered ring with nitrogen atoms, contributing to its potential biological activity. The presence of fluorine atoms suggests enhanced lipophilicity and may influence its pharmacokinetic properties. The sulfonyl group indicates potential for strong intermolecular interactions, while the methoxy and pyrazole moieties may enhance its solubility and reactivity. This compound is likely to exhibit specific interactions with biological targets, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. Its intricate structure suggests potential applications in areas such as cancer therapy or other therapeutic areas, although detailed biological activity and safety profiles would require further investigation through experimental studies.

Formula: C₂₇H₂₇F₂N₇O₅S₂

InChI: InChI=1S/C27H27F2N7O5S2/c1-16-13-22(34-33-16)30-25-24(41-2)26(35-11-4-3-5-12-35)32-27(31-25)42-21-10-9-18(14-19(21)28)43(39,40)15-17-7-6-8-20(23(17)29)36(37)38/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H2,30,31,32,33,34)

InChI key: InChIKey=UPZNTUYHCRQOIQ-UHFFFAOYSA-N

SMILES: O(C)C=1C(=NC(SC2=C(F)C=C(S(CC3=C(F)C(N(=O)=O)=CC=C3)(=O)=O)C=C2)=NC1NC=4C=C(C)NN4)N5CCCCC5

Synonyms:

• 2-[[2-Fluoro-4-[[(2-fluoro-3-nitrophenyl)methyl]sulfonyl]phenyl]thio]-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-piperidinyl)-4-pyrimidinamine
• Centrinone-B
• 4-Pyrimidinamine, 2-[[2-fluoro-4-[[(2-fluoro-3-nitrophenyl)methyl]sulfonyl]phenyl]thio]-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-piperidinyl)-
• 2-[2-Fluoro-4-[(2-fluoro-3-nitrophenyl)methylsulfonyl]phenyl]sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
• Centrinone B,CentrinoneB
• LCR-323

Centrinone-B

CAS: 1798871-31-4

Centrinone-B

Purity: ≥98%

Molecular weight: 631.67g/mol

Ref: 54-BUP21880

Centrinone-B

Controlled Product

CAS: 1798871-31-4

Formula: C₂₇H₂₇F₂N₇O₅S₂

Color and Shape: Neat

Molecular weight: 631.674

Ref: TR-C256610

Centrinone-B

CAS: 1798871-31-4

Centrinone-B (LCR-323) is a Plk4 inhibitor with potential anticancer activity for the study of triple-negative breast cancer.

Formula: C₂₇H₂₇F₂N₇O₅S₂

Purity: 98.71%

Color and Shape: Solid

Molecular weight: 631.67

Ref: TM-T14926