KHS101 hydrochloride - ≥99% , CAS No.1784282-12-7

CAS: 1784282-12-7 Cat. No.: K413367 Summenformel: C₁₈H₂₂ClN₅S Molekulargewicht: 339.463646 PubChem CID: 90488983

GRADE & PURITY ≥99%

Synonyms

2,​4-​Pyrimidinediamine,N4-​(2-​methylpropyl)​-​N2-​[(2-​phenyl-​4-​thiazolyl)​methyl]​-​,hydrochloride (1:1)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

KHS101 hydrochloride KHS101 is a small-molecule inhibitor of TACC3 , which is a key component of centrosome-microtubule dynamic networks.

Targets

TACC3

In vitro

In two intracranial patient-derived xenograft tumor models in mice (glioblastoma multiforme and neural progenitor cell models), systemic administration of KHS101 reduced tumor growth and increased survival without discernible side effects. KHS101 crosses the blood-brain barrier (BBB) and selectively induces neuronal differentiation of hippocampal neural progenitor cells in vitro and in vivo. KHS101 treatment increases survival of glioblastoma multiforme xenograft tumor-bearing mice.

In vivo

In two intracranial patient-derived xenograft tumor models in mice (glioblastoma multiforme and neural progenitor cell models), systemic administration of KHS101 reduced tumor growth and increased survival without discernible side effects. KHS101 crosses the blood-brain barrier (BBB) and selectively induces neuronal differentiation of hippocampal neural progenitor cells in vitro and in vivo. KHS101 treatment increases survival of glioblastoma multiforme xenograft tumor-bearing mice.

Cell Research(from reference)

Cell lines：GBM cells 

Concentrations：7.5 μM 

Incubation Time：12 h 

Specifications

Synonyme

2,​4-​Pyrimidinediamine,N4-​(2-​methylpropyl)​-​N2-​[(2-​phenyl-​4-​thiazolyl)​methyl]​-​,hydrochloride (1:1)

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

KHS101 is a small-molecule inhibitor of TACC3, which is a key component of centrosome-microtubule dynamic networks.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 528773729
• Kanonisches Lächeln: CC(C)CNC1=NC(=NC=C1)NCC2=CSC(=N2)C3=CC=CC=C3.Cl
• IUPAC Name: 4-N-(2-methylpropyl)-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
• InChIKey: INVQHPQJFRKGIO-UHFFFAOYSA-N
• INCHI: 1S/C18H21N5S.ClH/c1-13(2)10-20-16-8-9-19-18(23-16)21-11-15-12-24-17(22-15)14-6-4-3-5-7-14;/h3-9,12-13H,10-11H2,1-2H3,(H2,19,20,21,23);1H
• Isomere SMILES: CC(C)CNC1=NC(=NC=C1)NCC2=CSC(=N2)C3=CC=CC=C3.Cl
• PubChem CID: 90488983
• Molekulargewicht: 339.463646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: 2,4-disubstituted thiazoles Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - 2,4-disubstituted 1,3-thiazole - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 75 mg/mL (199.51 mM); Ethanol: 57 mg/mL (151.62 mM); Water: 3 mg/mL (7.98 mM)
• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 375.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 375.128 Da
• Monoisotopic Mass: 375.128 Da
• Topological Polar Surface Area: 91.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 361.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3