CAS 1440898-82-7

1H-Benzimidazole, 2-[4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl]-1-(phenylmethyl)-, hydrochloride (1:?)

Description:

1H-Benzimidazole, 2-[4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl]-1-(phenylmethyl)-, hydrochloride (CAS 1440898-82-7) is a complex organic compound characterized by its benzimidazole core, which is known for its diverse biological activities. This substance features multiple aromatic rings, contributing to its potential for π-π stacking interactions and hydrophobic interactions, which are significant in biological systems. The presence of a piperidine moiety suggests potential for interactions with biological targets, possibly influencing pharmacological properties. As a hydrochloride salt, it is likely to exhibit improved solubility in aqueous environments, enhancing its bioavailability. The stereochemistry indicated by the (2S) designation may influence its interaction with biological receptors, potentially affecting its efficacy and safety profile. Overall, this compound may be of interest in medicinal chemistry, particularly in the development of therapeutic agents targeting various diseases, although specific biological activities and mechanisms would require further investigation.

Formula: C₄₀H₄₀Cl₃N₅O

InChI: InChI=1S/C40H37N5O.ClH/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31;/h1-22,30,38,41H,23-28H2;1H/t38-;/m1./s1

InChI key: InChIKey=RNNBDBVWCNENOV-XVYLPRMCSA-N

SMILES: [C@H](COC1=CC=C(C=C1)C=2N(CC3=CC=CC=C3)C=4C(N2)=CC=CC4)(N5C(=NC=6C5=CC=CC6)C7=CC=CC=C7)[C@H]8CCNCC8.Cl

Synonyms:

• 1H-Benzimidazole, 2-[4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl]-1-(phenylmethyl)-, hydrochloride (1:?)
• Deltarasin (hydrochloride)
• Deltarasin trihydrochloride
• Deltarasin hydrochloride (1:?)
• 2-[4-[(2S)-2-(2-Phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl]-1-(phenylmethyl)-1H-benzimidazole trihydrochloride

Deltarasin HCl

CAS: 1440898-82-7

Deltarasin hinders KRAS-PDEδ, impairs cancer cell growth via a PDEδ pocket, disrupting RAS/RAF signaling and autophagy.

Formula: C₄₀H₃₇N₅O·xHCl

Color and Shape: Solid

Molecular weight: 713.144

Ref: TM-T70646