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: C(CNCC1=CC=CC=C1)C=2N([C@@H]3CC=4C(OC3)=C(F)C=C(F)C4)C(=S)NC2

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

Ref: TM-T13383

Zamicastat

CAS: 1080028-80-3

Zamicastat

Purity: ≥95%

Molecular weight: 401.47g/mol

Ref: 54-BUP04493

Zamicastat

CAS: 1080028-80-3

Zamicastat is a drug that is used in the treatment of vascular dementia, including multi-infarct dementia and Alzheimer's disease. It has been shown to reduce systolic pressure and improve clinical response in patients with congestive heart failure. Zamicastat inhibits the production of dopamine β-hydroxylase, which is an enzyme that catalyzes the conversion of dopamine to norepinephrine. It also inhibits the production of chemoattractant protein, an inflammatory mediator. This drug is being investigated as a possible diagnostic agent for cardiac hypertrophy and sildenafil for the treatment of erectile dysfunction.

Formula: C₂₁H₂₁F₂N₃OS

Purity: Min. 95%

Molecular weight: 401.5 g/mol

Ref: 3D-FTB02880