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

CAS: 1613404-76-4 Cat. No.: D648580 Formula: C₄₀H₃₈ClN₅O Peso molecolare: 640.22 PubChem CID: 78357804

QUALITÀ & PUREZZA ≥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

Panoramica

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)

Specifiche

Sinonimi

(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-

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

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

Isomeri 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

CAS alternativo

1440898-82-7

PubChem CID

78357804

Peso molecolare

640.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

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