Voreloxin , DNA inhibitor, CAS No.175414-77-4, DNA inhibitor

CAS: 175414-77-4 Cat. No.: V125786 Summenformel: C₁₈H₁₉N₅O₄S Molekulargewicht: 401.44 PubChem CID: 9952884

Synonyms

1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-[(3S,4S)-3-methoxy-4-(methylamino)-1-pyrrolidinyl]-4-oxo-1-(2-thiazolyl)- | Q18395775 | SNS 595 | VOSAROXIN [INN] | 1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 1,4-DIHYDRO-7-((3S,4S)-3-METHOXY-4-(METHYLAMINO)-1-

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Spezifikationen

Synonyme

1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-[(3S,4S)-3-methoxy-4-(methylamino)-1-pyrrolidinyl]-4-oxo-1-(2-thiazolyl)- | Q18395775 | SNS 595 | VOSAROXIN [INN] | 1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 1,4-DIHYDRO-7-((3S,4S)-3-METHOXY-4-(METHYLAMINO)-1-

Biochemische und physiologische Mechanismen

Voreloxin ist ein kleines Molekül und ein Naphthyridin-Analogon mit antineoplastischer Wirkung. Vosaroxin lagert sich ortsspezifisch in die DNA ein und blockiert die erneute Bindung durch Topoisomerase II während der DNA-Replikation.

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

INHIBITOR

Mechanismus der Wirkung

DNA inhibitor

Namen und Kennungen

Pubchem Sid

504765146

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765146

Kanonisches Lächeln

CNC1CN(CC1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O

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

InChIKey

XZAFZXJXZHRNAQ-STQMWFEESA-N

INCHI

1S/C18H19N5O4S/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)/t12-,13-/m0/s1

Isomere SMILES

CN[C@H]1CN(C[C@@H]1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O

PubChem CID

9952884

Molekulargewicht

401.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - Imidolactam - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiazole - Azole - Pyrrolidine - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

HL-60 (67320 Activities)

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Hs746T (53 Activities)

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PANC-1 (6144 Activities)

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SBC-3 (23 Activities)

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SCaBER (64 Activities)

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Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: insoluble in H2O; insoluble in EtOH; insoluble in DMSO
• Molekulargewicht: 401.400 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 401.116 Da
• Monoisotopic Mass: 401.116 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 28
• 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: 1

Häufig gestellte Fragen

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 175414-77-4, the molecular formula is C18H19N5O4S, and the molecular weight is 401.44 g/mol. InChIKey XZAFZXJXZHRNAQ-STQMWFEESA-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.