Voreloxin (SNS-595) hydrochloride - ≥95% , CAS No.175519-16-1

CAS: 175519-16-1 Cat. No.: V413768 Peso molecular: 437.9 PubChem CID: 10343042

GRADE & PURITY ≥95%

Synonyms

Vosaroxin Hydrochloride | DTXSID70438412 | SCHEMBL7824841 | MS-27849 | s7518 | SNS-595 hydrochloride | Voreloxin Hydrochloride | 1,4-DIHYDRO-7-[(3S,4S)-3-METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYD

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Voreloxin hydrochloride (SNS-595, Vosaroxin) is a potentTopoisomerase IIinhibitor with broad-spectrum anti-tumor activity. Phase 2.

Targets

Topo II

In vitro

Voreloxin exhibits potent inhibitory effect in topoisomerase II relaxation with IC50 of 3.2 μg /mL without effect on topoisomerase II cleavage. Voreloxin has a cytotoxic activity against human tumor cell lines more potent than that of etoposide. Voreloxin has broad anti-proliferative activity in 15 cell lines, including 4 drug-resistant lines, with IC50 ranging from 0.04 to 1.155 μM.

In vivo

Voreloxin (50 mg/kg i.p.) shows potent in vivo antitumor activity mice implanted with P388 leukemia cells. Voreloxin (25 mg/kg i.v.) demonstrates strong tumor growth inhibition in 10 of 11 solid tumor (breast, ovarian, colon, lung, gastric, and melanoma) xenograft models, 2 hematologic tumor xenograft models, 3 multidrug resistant tumor models and 3 murine syngeneic tumor models (Colon 26, Lewis Lung carcinoma, M5076 Ovarian Sarcoma).

Cell Research(from reference)

Cell lines：P388 leukemia cells 

Concentrations：~10 μg/mL 

Incubation Time：72 hours 

Specifications

Sinónimos

Vosaroxin Hydrochloride | DTXSID70438412 | SCHEMBL7824841 | MS-27849 | s7518 | SNS-595 hydrochloride | Voreloxin Hydrochloride | 1, 4-DIHYDRO-7-[(3S, 4S)-3-METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1-(2-THIAZOLYL)-1, 8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYD

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Voreloxin hydrochloride (SNS-595, Vosaroxin) is a potent Topoisomerase II inhibitor with broad-spectrum anti-tumor activity. Phase 2.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ACTIVATOR

Pureza

≥95%

Propiedades del producto

• ALogP: -1.138
• Recuento HBD: 1
• Enlace rotable: 5

Nombres e identificadores

• Sonrisas canónicas: CNC1CN(CC1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O.Cl
• IUPAC Name: 7-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• InChIKey: JJZCCQHWCOXGCL-QNTKWALQSA-N
• INCHI: 1S/C18H19N5O4S.ClH/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18;/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26);1H/t12-,13-;/m0./s1
• Isómeros SMILES: CN[C@H]1CN(C[C@@H]1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O.Cl
• PubChem CID: 10343042
• Peso molecular: 437.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridine carboxylic acids and derivatives
• Alternative Parents: Pyridinecarboxylic acids Dialkylarylamines Aminopyridines and derivatives Imidolactams Vinylogous amides Thiazoles Pyrrolidines Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Dialkyl ethers Dialkylamines Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - Imidolactam - Pyridine - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Pyrrolidine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

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

P388 (20296 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO:20 mg/ml (45.67 mM)，H2O: 1 mg/mL, clear (warmed)
• Sensibilidad: Moisture sensitive.
• DMSO (mg/ml) Solubilidad máxima: 1
• DMSO (mM) Solubilidad máxima: 2.283626399
• Agua (mg/ml) Solubilidad máxima: 1
• Agua (mM) Solubilidad máxima: 2.283626399
• Peso molecular: 437.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 437.092 Da
• Monoisotopic Mass: 437.092 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 662.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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