CAS 445479-97-0: rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide

Description: The chemical substance known as rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide, with the CAS number 445479-97-0, is a complex organic compound characterized by its multi-functional structure. It features a benzamide core, which is modified with various substituents, including a trifluoromethyl group and a methylthio group, contributing to its unique chemical properties. The presence of multiple amine and carbonyl functional groups suggests potential for hydrogen bonding and reactivity in biological systems. This compound may exhibit specific pharmacological activities, making it of interest in medicinal chemistry. Its stereochemistry, indicated by the (1R,2S) configuration, suggests that it may have distinct biological activity based on its three-dimensional arrangement. Overall, this substance is likely to be studied for its potential applications in drug development or as a biochemical probe, although specific biological activities and properties would require empirical investigation.

Formula: C₂₈H₃₄F₃N₅O₄S

InChI: InChI=1/C28H34F3N5O4S/c1-16(2)33-27(40)36-21-13-10-18(28(29,30)31)14-20(21)26(39)32-15-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-3)12-9-17/h8-14,16,22-23H,4-7,15H2,1-3H3,(H,32,39)(H,34,37)(H,35,38)(H2,33,36,40)/t22-,23+/s2

InChI key: InChIKey=IBPXYDUJQWENPM-VUEPYQETNA-N

SMILES: O=C(NC1=CC=C(C=C1C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(SC)C=C3)C(F)(F)F)NC(C)C

Synonyms:

• 2-[(Isopropylaminocarbonyl)amino]-N-[2-[[cis-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
• rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
• Benzamide, 2-[[[(1-methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)-, rel-
• BMS CCR 2-22

2-[(ISOPROPYLAMINOCARBONYL)AMINO]-N-[2-[[CIS-2-[[4-(METHYLTHIO)BENZOYL]AMINO]CYCLOHEXYL]AMINO]-2-OXOETHYL]-5-(TRIFLUOROMETHYL)BENZAMIDE

CAS: 445479-97-0

• Formula: C₂₈H₃₄F₃N₅O₄S
• Purity: 95%
• Molecular weight: 593.6609

BMS CCR2 22

CAS: 445479-97-0

• Purity: ≥98%
• Molecular weight: 593.66g/mol

BMS CCR2 22

CAS: 445479-97-0

BMS CCR2 22 is a potent and selective antagonist of CCR2 with calcium flux IC50 …

• Formula: C₂₈H₃₄F₃N₅O₄S
• Purity: 99.05%
• Color and Shape: Solid
• Molecular weight: 593.66

2-[(Isopropylcarbamoyl)Amino]-N-(2-{[(1S,2R)-2-{[4-(Methylsulfanyl)Benzoyl]Amino}Cyclohexyl]Amino}-2-Oxoethyl)-5-(Trifluoromethyl)Be nzamide

CAS: 445479-97-0

(2-{[(1S,2R)-2-{[4-(Methylsulfanyl)benzoyl]amino}cyclohexyl]amino}-N-(2-((isopropylcarbamoyl)amin o)-2-oxoethyl)-5-(trifluoromethyl)benzamide is a chemokine receptor antagonist that blocks the activation of chemokine receptors by …

• Formula: C₂₈H₃₄F₃N₅O₄S
• Purity: Min. 95%
• Molecular weight: 593.66 g/mol