Deltarasin hydrochloride - ≥99% , CAS No.1613404-76-4

CAS: 1613404-76-4 Cat. No.: D648580 Molecular Weight: 640.22 PubChem CID: 78357804

GRADE & PURITY ≥99%

Synonyms

(S)-1-Benzyl-2-(4-(2-(2-phenyl-1H-benzo[d]imidazol-1-yl)-2-(piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazolehydrochloride | 1-benzyl-2-{4-[(2S)-2-(2-phenyl-1H-1,3-benzodiazol-1-yl)-2-(piperidin-4-yl)ethoxy]phenyl}-1H-1,3-benzodiazole hydrochloride | MS-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Deltarasin hydrochloride is an inhibitor of KRAS-PDEδ interaction with K d of 38 nM for binding to purified PDEδ.

In Vitro

In liver cells, deltarasin inhibits the interaction of RAS with PDEδ with K D of 41 nM. Inhibition of PDEδ-KRAS interaction by deltarasin suppresses proliferation of human pancreatic ductal adenocarcinoma cells that are dependent on oncogenic KRAS. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Deltarasin (10 mg/kg, i.p.) impairs dose-dependent tumor growth in nude mice bearing subcutaneous human Panc-Tu-I tumour cell xenografts . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Kd: 38 nM (PDEδ)

Specifications

Synonyms

(S)-1-Benzyl-2-(4-(2-(2-phenyl-1H-benzo[d]imidazol-1-yl)-2-(piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazolehydrochloride | 1-benzyl-2-{4-[(2S)-2-(2-phenyl-1H-1, 3-benzodiazol-1-yl)-2-(piperidin-4-yl)ethoxy]phenyl}-1H-1, 3-benzodiazole hydrochloride | MS-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Deltarasin hydrochloride is an inhibitor of KRAS-PDEδ interaction with K d of 38 nM for binding to purified PDEδ.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CNCCC1C(COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)N6C7=CC=CC=C7N=C6C8=CC=CC=C8.Cl
• IUPAC Name: 1-benzyl-2-[4-[(2S)-2-(2-phenylbenzimidazol-1-yl)-2-piperidin-4-ylethoxy]phenyl]benzimidazole;hydrochloride
• InChIKey: RNNBDBVWCNENOV-XVYLPRMCSA-N
• 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
• Isomeric SMILES: C1CNCCC1[C@@H](COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)N6C7=CC=CC=C7N=C6C8=CC=CC=C8.Cl
• Alternate CAS: 1440898-82-7
• PubChem CID: 78357804
• Molecular Weight: 640.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Piperidines N-substituted imidazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 2-phenylimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Imidazole - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : ≥ 52 mg/mL (81.22 mM) H2O : 50 mg/mL (78.10 mM; Need ultrasonic)