CAS 158636-97-6

2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropyl]-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-one

Description:

The chemical substance known as 2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropyl]-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-one, with the CAS number 158636-97-6, is characterized by its complex molecular structure, which includes a thiadiazole ring, a morpholine moiety, and a hydroxypropyl group. This compound typically exhibits properties such as moderate solubility in polar solvents and potential biological activity, making it of interest in pharmaceutical research. The presence of the dimethylamino group suggests it may interact with biological systems, potentially influencing its pharmacokinetics and pharmacodynamics. Additionally, the thiadiazole ring is known for its role in various biological activities, including antimicrobial and anti-inflammatory effects. The morpholine ring can enhance the compound's ability to penetrate biological membranes, which is crucial for drug development. Overall, this substance represents a class of compounds that may have significant applications in medicinal chemistry, particularly in the development of therapeutic agents.

Formula: C₁₃H₂₄N₄O₃S

InChI: InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-17-12(19)11(15-21-17)16-4-6-20-7-5-16/h10,14,18H,4-9H2,1-3H3

InChI key: InChIKey=NRTPOFNBMLVPDO-UHFFFAOYSA-N

SMILES: O=C1C(=NSN1CC(CNC(C)(C)C)O)N2CCOCC2

Synonyms:

• 2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropyl]-4-(4-morpholinyl)-1,2,5-thiadiazol-3(2H)-one
• 1,2,5-Thiadiazol-3(2H)-one, 2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]-4-(4-morpholinyl)-

Timolol EP Impurity H

CAS: 158636-97-6

Formula: C₁₃H₂₄N₄O₃S

Color and Shape: White To Off-White Solid

Molecular weight: 316.42

Ref: 4Z-T-68015

2-(3-(tert-Butylamino)-2-hydroxypropyl)-4-morpholino-1,2,5-thiadiazol-3(2H)-one (>90%)

CAS: 158636-97-6

Impurity Timolol EP Impurity H
Applications 2-(3-(tert-Butylamino)-2-hydroxypropyl)-4-morpholino-1,2,5-thiadiazol-3(2H)-one is a impurity of Timolol (T443710), an antihypertensive; antiarrhythmic (class II); antianginal; antiglaucoma agent.
References Lacroix, P.M., et. al.: Chirality, 6, 484 (1994); Wasson, et al.: J. Med. Chem., 15, 651 (1972); Franciosa, et al.: Clin. Pharmacol. Ther., 13, 138 (1972); Heel, R.C., et al.: Drugs, 17, 38 (1979); Rofman, B.A., et al.: Hypertension, 2, 643 (1980); Mazzo, D.J., et al.: Anal. Profiles Drug Subs., 16, 641 (1987)

Formula: C₁₃H₂₄N₄O₃S

Purity: >90%

Color and Shape: Neat

Molecular weight: 316.42

Ref: TR-B692940

2-(3-(tert-Butylamino)-2-hydroxypropyl)-4-morpholino-1,2,5-thiadiazol-3(2H)-one

CAS: 158636-97-6

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Formula: C₁₃H₂₄N₄O₃S

Purity: Min. 95%

Molecular weight: 316.42 g/mol

Ref: 3D-IGA63697

Timolol EP Impurity H

CAS: 158636-97-6

Formula: C₁₃H₂₄N₄O₃S

Molecular weight: 316.42

Ref: ST-EA-CP-T13008