CAS 1080028-80-3: 1-[(3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]-1,3-dihydro-5-[2-[(phenylmethyl)amino]ethyl]-2H-imidazole-2-thione

Description: The chemical substance known as 1-[(3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]-1,3-dihydro-5-[2-[(phenylmethyl)amino]ethyl]-2H-imidazole-2-thione, with the CAS number 1080028-80-3, is a complex organic compound characterized by its unique structural features. It contains a benzopyran moiety, which contributes to its potential biological activity, and an imidazole ring that is known for its role in various biochemical processes. The presence of difluoro substituents enhances its lipophilicity and may influence its pharmacokinetic properties. The compound also features a thione functional group, which can participate in various chemical reactions, including coordination with metal ions. Its phenylmethylamino side chain suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Overall, this compound's intricate structure may confer specific properties that could be explored for therapeutic applications, although detailed studies would be necessary to elucidate its biological activity and mechanism of action.

Formula: C₂₁H₂₁F₂N₃OS

InChI: InChI=1S/C21H21F2N3OS/c22-16-8-15-9-18(13-27-20(15)19(23)10-16)26-17(12-25-21(26)28)6-7-24-11-14-4-2-1-3-5-14/h1-5,8,10,12,18,24H,6-7,9,11,13H2,(H,25,28)/t18-/m1/s1

InChI key: InChIKey=ZSSLCFLHEFXANG-GOSISDBHSA-N

SMILES: FC=1C=C(F)C=2OCC(N3C(=S)NC=C3CCNCC=4C=CC=CC4)CC2C1

Synonyms:

• 1-[(3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]-1,3-dihydro-5-[2-[(phenylmethyl)amino]ethyl]-2H-imidazole-2-thione
• 2H-Imidazole-2-thione, 1-[(3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]-1,3-dihydro-5-[2-[(phenylmethyl)amino]ethyl]-
• Zamicastat
• (R)-5-(2-(Benzylamino)ethyl)-1-(6,8-difluorochroman-3-yl)-1H-imidazole-2(3H)-thione

Zamicastat

CAS: 1080028-80-3

Zamicastat (BIA 5-1058) inhibits DBH, P-gp (IC50=73.8μM), and BCRP (IC50=17.0μM).

• Formula: C₂₁H₂₁F₂N₃OS
• Purity: 99.58%
• Color and Shape: Solid
• Molecular weight: 401.47

Zamicastat

CAS: 1080028-80-3

Please enquire for more information about Zamicastat including the price, delivery time and more detailed …

• Formula: C₂₁H₂₁F₂N₃OS
• Purity: Min. 95%
• Molecular weight: 401.5 g/mol