NSC 23766 - ≥98% , CAS No.1177865-17-6

CAS: 1177865-17-6 Cat. No.: N129204 Formule: C₂₄H₃₅N₇·3HCl Poids moléculaire: 530.96 Numéro CE: 808-506-0 PubChem CID: 16759159

GRADE & PURITY ≥98%

Synonyms

NSC23766 trihydrochloride | UNM-0000305815 | BN162673 | CCG-265031 | EX-A3156 | NSC23766 3HCl salt | NSC 23766 trihydrochloride | N6-(2-((5-(Diethylamino)pentan-2-yl)amino)-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine trihydrochloride | NCGC00092

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

NSC23766 trihydrochloride | UNM-0000305815 | BN162673 | CCG-265031 | EX-A3156 | NSC23766 3HCl salt | NSC 23766 trihydrochloride | N6-(2-((5-(Diethylamino)pentan-2-yl)amino)-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine trihydrochloride | NCGC00092

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

NSC23766 is an inhibitor of Rac1, a Rho-family GTPase. The compound blocks activation by the guanine nucleotide exchange factors Trio and Tiam1, but does not affect interactions with RhoA or Cdc42. NSC23766 blocks ADP-mediated platelet aggregation. Inhibi

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504768523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768523
• Sourires canoniques: CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C.Cl.Cl.Cl
• IUPAC Name: 6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine;trihydrochloride
• InChIKey: CPUHORIUXPQCHW-UHFFFAOYSA-N
• INCHI: 1S/C24H35N7.3ClH/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22;;;/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30);3*1H
• Isomères SMILES: CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C.Cl.Cl.Cl
• WGK Allemagne: 3
• PubChem CID: 16759159
• Poids moléculaire: 530.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Methylpyridines Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Aminopyridine - Methylpyridine - Aminopyrimidine - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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

Cibles associées (humaines)

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDA-MB-435 (38290 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAC1 Tbio Ras-related C3 botulinum toxin substrate 1 (221 Activities)

Discover Target: RAC1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO 106 mg/mL Water 106 mg/mL Ethanol 5 mg/mL
• Poids moléculaire: 531.000 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 529.225 Da
• Monoisotopic Mass: 529.225 Da
• Topological Polar Surface Area: 92.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 514.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

Références

1. Zhu Haixia, Wen Zongzhuang, Zhang Aizhen, Liu Dongyue, Wang Hongxiang, Cheng Yin, Yang Xing, Xiao Yu, Li Jianyuan, Sun Daqing, Wu Bin, Gao Jiangang.  (2023)  RhoGDIα regulates spermatogenesis through Rac1/cofilin/F-actin signaling.  Communications Biology,  6  (1): (1-14).  [PMID:36823181] [10.1038/s42003-023-04579-7]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1177865-17-6, the molecular formula is C24H35N7·3HCl, and the molecular weight is 530.96 g/mol. InChIKey CPUHORIUXPQCHW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.