CAS 464930-42-5

D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1)

Description:

D-Phenylalaninamide, with the CAS number 464930-42-5, is a complex organic compound characterized by its specific structural features, including a phenylalanine derivative and a sulfonamide group. This compound exhibits a chiral center, which contributes to its stereochemical properties, making it relevant in pharmaceutical applications. The presence of a benzodioxole moiety suggests potential interactions with biological targets, possibly influencing its pharmacological activity. Additionally, the compound contains a naphthalene ring and a piperidine structure, which may enhance its lipophilicity and ability to cross biological membranes. As a hydrochloride salt, it is likely to be more soluble in aqueous environments, facilitating its use in various formulations. The compound's intricate structure indicates potential for specific interactions with receptors or enzymes, making it a candidate for further investigation in medicinal chemistry. Overall, its unique combination of functional groups and stereochemistry positions it as a compound of interest in drug development and research.

Formula: C₄₂H₅₂N₄O₇S·ClH

InChI: InChI=1S/C42H52N4O7S.ClH/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36;/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47);1H/t28-,29+,37-,38-;/m1./s1

InChI key: InChIKey=GLHHFOSVBQQNAW-GDYXXZBVSA-N

SMILES: [C@@H](NS(=O)(=O)C1=CC2=C(C=C1)C=C(OC)C=C2)(CC(N[C@H](CC3=CC=C(CN4[C@@H](C)CCC[C@H]4C)C=C3)C(N(C(C)C)C)=O)=O)C=5C=C6C(=CC5)OCO6.Cl

Synonyms:

• D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1)
• D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride
• SSR 240612

SSR240612

CAS: 464930-42-5

Formula: C₄₂H₅₃ClN₄O₇S

Purity: 95%

Color and Shape: Solid

Molecular weight: 793.4108

Ref: IN-DA01ENUL

SSR240612

CAS: 464930-42-5

SSR240612

Purity: ≥98%

Molecular weight: 793.41g/mol

Ref: 54-BUP04017

SSR240612

CAS: 464930-42-5

SSR240612 is a potent, and orally active specific non-peptide bradykinin B1 receptor antagonist (Kis = 0.48-0.73 and 358-481 nM for B1 and B2 receptors,

Formula: C₄₂H₅₃ClN₄O₇S

Purity: 98.59% - 99.16%

Color and Shape: Solid

Molecular weight: 793.41

Ref: TM-T5048

SSR240612

CAS: 464930-42-5

SSR240612

Purity: 98%

Molecular weight: 793.41g/mol

Ref: 54-BISN0050

SSR 240612

Controlled Product

CAS: 464930-42-5

Formula: C₄₂H₅₂N₄O₇S·ClH

Color and Shape: Neat

Molecular weight: 793.411

Ref: TR-S684420

SSR 240612

CAS: 464930-42-5

SSR 240612 is a selective serotonin reuptake inhibitor (SSRI), which is synthetically derived through meticulous chemical processes designed to enhance binding affinity. Its mode of action involves the inhibition of the serotonin reuptake transporters in the synaptic cleft, leading to increased extracellular levels of serotonin. This action is achieved by blocking the reabsorption of serotonin into the presynaptic neuron, allowing for prolonged neurotransmitter activity at the postsynaptic receptor sites.

Formula: C₄₂H₅₂N₄O₇S·HCl

Purity: Min. 95%

Molecular weight: 756.95 g/mol

Ref: 3D-PTA93042