CAS 629652-44-4

Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Description:

Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, with CAS number 629652-44-4, is a complex organic compound characterized by its unique structural features. It contains a pyridoindole framework, which is notable for its potential biological activity, particularly in medicinal chemistry. The presence of a benzodioxole moiety suggests possible interactions with biological targets, as this structure is often associated with various pharmacological properties. The chloroacetyl group may enhance its reactivity and influence its interaction with enzymes or receptors. This compound is likely to exhibit solubility in organic solvents, and its stability can be influenced by environmental factors such as pH and temperature. Given its intricate structure, it may also participate in various chemical reactions, making it of interest for synthetic applications. Overall, this compound represents a class of molecules that could be explored for therapeutic uses, particularly in the fields of neuroscience and oncology, although specific biological activities would require further investigation.

Formula: C₂₂H₁₉ClN₂O₅

InChI: InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21+/m0/s1

InChI key: InChIKey=JUKHNCNDFOAFLT-HRAATJIYSA-N

SMILES: C(CCl)(=O)N1[C@@H](C2=C(C=3C(N2)=CC=CC3)C[C@H]1C(OC)=O)C=4C=C5C(=CC4)OCO5

Synonyms:

• (1R,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl) -2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
• 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3S)-
• 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3S)-
• Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Tadalafil Impurity 30

CAS: 629652-44-4

Formula: C₂₂H₁₉ClN₂O₅

Color and Shape: Off-White Solid

Molecular weight: 426.85

Ref: 4Z-T-1079

(1R,3S)-Chloropretadalafil

Controlled Product

CAS: 629652-44-4

Applications Tadalafil (T004500) derivative.
References Beghyn, T. et al.: Bioorgan. Med. Chem. Lett. 17, 789(2007)

Formula: C₂₂H₁₉ClN₂O₅

Color and Shape: Neat

Molecular weight: 426.85

Ref: TR-B200000

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester

CAS: 629652-44-4

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester is a drug product that has not yet been approved for use in humans. It is a synthetic compound and its structure is similar to the 1H indole derivative. It is metabolized in both rats and humans by oxidation of the methyl ester side chain. Metabolites have been identified in urine and feces following administration of radiolabeled (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2 chloroacetyl)-2,3,4,9 tetrahydro 1H pyrido[3,4 b]indole 3 carboxylic

Formula: C₂₂H₁₉ClN₂O₅

Purity: Min. 95%

Molecular weight: 426.8 g/mol

Ref: 3D-EAB65244

Tadalafil Impurity 30

CAS: 629652-44-4

Formula: C₂₂H₁₉ClN₂O₅

Molecular weight: 426.85

Ref: ST-EA-CP-T31057