CAS 136310-66-2

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate

Description:

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate, with CAS number 136310-66-2, is a complex organic compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring, contributing to its azabicyclic nature. The presence of the thienyl and thiopheneacetate groups indicates that it possesses significant aromatic character, which can influence its reactivity and interaction with biological systems. The α-hydroxy group suggests potential for hydrogen bonding and may enhance solubility in polar solvents. This compound may exhibit interesting pharmacological properties due to its structural features, making it a candidate for research in medicinal chemistry. Its stereochemistry, particularly the endo configuration, can affect its spatial orientation and interactions with biological targets. Overall, this compound's unique structural attributes may lead to diverse applications in drug development and materials science, warranting further investigation into its properties and potential uses.

Formula: C₁₈H₁₉NO₃S₂

InChI: InChI=1/C18H19NO3S2/c1-19-12-6-7-13(19)11-14(10-12)22-17(20)18(21,15-4-2-8-23-15)16-5-3-9-24-16/h2-9,12-14,21H,10-11H2,1H3/t12-,13+,14+

InChI key: InChIKey=WUOOUIFCFAXEKJ-WDNDVIMCNA-N

SMILES: C(C(O[C@H]1C[C@@]2(N(C)[C@](C1)(C=C2)[H])[H])=O)(O)(C3=CC=CS3)C4=CC=CS4

Synonyms:

• 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl ester
• 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl ester, endo-
• (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl α-hydroxy-α-2-thienyl-2-thiopheneacetate
• Di(2-thienyl)glycolic acid tropenol ester

Tiotropium Bromide Impurity 15

CAS: 136310-66-2

Formula: C₁₈H₁₉NO₃S₂

Molecular weight: 361.47

Ref: 4Z-T-3231

rel-(1R,3S,5S)-8-Methyl-8-azabicyclo[3,2,1]oct-6-en-yl-2-hydroxy-2,2-dithiophen-2-yl acetate

Controlled Product

CAS: 136310-66-2

Impurity Tiotropium EP impurity D
Applications (1R,3S,5S)-8-Methyl-8-azabicyclo[3,2,1]oct-6-en-yl-2-hydroxy-2,2-dithiophen-2-ylacetate is an impurity in the synthesis of Tiotropium Bromide (T444850), a muscarinic receptor antagonist. Bronchodilator.
References Haddad, E.-B., et al.: Mol. Pharmacol., 45, 899 (1994); Donohue, J. F., et al.: Chest, 122, 47 (2002); Profita, M., et al.: Allergy, 60, 1361 (2005); Dusser, D., et al.: Eur. Respir. J., 27, 547 (2006);

Formula: C₁₈H₁₉NO₃S₂

Color and Shape: Neat

Molecular weight: 361.48

Ref: TR-M288620

(1R,3S,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl-2'-hydroxy-2',2'-di(thiophen-2''-yl)acetate

CAS: 136310-66-2

Tanshinone IIA is an enantioselective hydroxamic acid that inhibits matrix metalloproteinase. It is a structural analogue of the hydroxamic acid Tanshinone I and has been shown to inhibit aggrecanase, which is an enzyme that hydrolyzes the glycosaminoglycan aggrecan. It also has anti-cancer effects due to its inhibition of cell proliferation in cancer cells. Tanshinone IIA can be used as a chiral synthon for polymerase chain reactions (PCR) because it contains a stereogenic centre in its structure.

Formula: C₁₈H₁₉NO₃S₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 361.48 g/mol

Ref: 3D-IM42883

Tiotropium EP Impurity D

CAS: 136310-66-2

Formula: C₁₈H₁₉NO₃S₂

Molecular weight: 361.47

Ref: ST-EA-CP-T22004