CAS 1410809-37-8

Benzamide, N-[(1S)-2-amino-1-[(hydroxyamino)carbonyl]-2-methylpropyl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-1,3-butadiyn-1-yl]-, 2,2,2-trifluoroacetate (1:1)

Description:

Benzamide, N-[(1S)-2-amino-1-[(hydroxyamino)carbonyl]-2-methylpropyl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-1,3-butadiyn-1-yl]-, 2,2,2-trifluoroacetate (1:1) is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amines, hydroxyls, and trifluoroacetate moieties. This compound features a benzamide backbone, indicating it has an amide functional group attached to a benzene ring, which often contributes to its biological activity and solubility properties. The presence of a cyclopropyl group and a butadiynyl substituent suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The trifluoroacetate group enhances its stability and solubility in polar solvents. Additionally, the stereochemistry indicated by the (1S) and (1R,2R) designations suggests that the compound may exhibit specific spatial configurations that could influence its interaction with biological targets. Overall, this compound's unique structural features may confer interesting chemical reactivity and biological properties, making it a subject of interest in research and development.

Formula: C₂₂H₂₄F₃N₃O₆

InChI: InChI=1S/C20H23N3O4.C2HF3O2/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24;3-2(4,5)1(6)7/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26);(H,6,7)/t15-,16+,17-;/m1./s1

InChI key: InChIKey=JDWOCPXDDCJBBA-UNLWNTODSA-N

SMILES: C(#CC#CC1=CC=C(C(N[C@H](C(NO)=O)C(C)(C)N)=O)C=C1)[C@H]2[C@H](CO)C2.C(C(O)=O)(F)(F)F

Synonyms:

• Benzamide, N-[(1S)-2-amino-1-[(hydroxyamino)carbonyl]-2-methylpropyl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-1,3-butadiyn-1-yl]-, 2,2,2-trifluoroacetate (1:1)
• (2S)-3-amino-N-hydroxy-2-[(4-{4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diyn-1-yl}phenyl)formamido]-3-methylbutanamide: trifluoroacetic acid
• ACHN-975 TFA

(2S)-3-Amino-N-hydroxy-2-[(4-{4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diyn-1-yl}phenyl)formamido]-3-methylbutanamide triflu oroacetate

CAS: 1410809-37-8

Versatile small molecule scaffold

Formula: C₂₂H₂₄F₃N₃O₆

Purity: Min. 95%

Molecular weight: 483.4 g/mol

Ref: 3D-KGC80937

ACHN-975 TFA

CAS: 1410809-37-8

ACHN-975 TFA is a selective LpxC inhibitor with a subnanomolar inhibitory. It is against a wide range of gram-negative bacterias with low MIC values (≤1 μg/mL).

Formula: C₂₂H₂₄F₃N₃O₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 483.4377

Ref: TM-T10236