PBTZ169 - ≥98% , FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase inhibitor, CAS No.1377239-83-2, FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase inhibitor

CAS: 1377239-83-2 Cat. No.: P413514 Formula: C₂₀H₂₃F₃N₄O₃S Peso molecolare: 456.48 Numero EC: 850-623-4 PubChem CID: 57331386

GRADE & PURITY ≥98%

Synonyms

MACOZINONE [WHO-DD] | HY-12903 | InChI=1/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H | BS-15317 | Macozinone | 2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one | BDBM50515570 | PBTZ-169;PBTZ 169;Macozinone | YH65042

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

PBTZ169 PBTZ169 (macozinone), an antibiotic with antimycobacterial activity, is an irreversible inhibitor of DprE1 .

Specifications

Sinonimi

MACOZINONE [WHO-DD] | HY-12903 | InChI=1/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H | BS-15317 | Macozinone | 2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one | BDBM50515570 | PBTZ-169;PBTZ 169;Macozinone | YH65042

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

PBTZ169 (macozinone), an antibiotic with antimycobacterial activity, is an irreversible inhibitor of DprE1.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Tipo di azione

INHIBITOR

Meccanismo d'azione

FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase inhibitor

Purezza

≥98%

Proprietà del prodotto

• ALogP: 4.7

Nomi e identificatori

• Pubchem Sid: 488201816
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201816
• Sorrisi canonici: C1CCC(CC1)CN2CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]
• IUPAC Name: 2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
• InChIKey: BJDZBXGJNBMCAV-UHFFFAOYSA-N
• INCHI: 1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2
• Isomeri SMILES: C1CCC(CC1)CN2CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]
• PubChem CID: 57331386
• Peso molecolare: 456.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Benzothiazines Dialkylarylamines Nitroaromatic compounds N-alkylpiperazines Benzenoids Heteroaromatic compounds Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organooxygen compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Benzothiazine - Nitroaromatic compound - Dialkylarylamine - N-alkylpiperazine - Benzenoid - Heteroaromatic compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic oxygen compound - Organic salt - Amine - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Obiettivi associati (umani)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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

Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Vero (26788 Activities)

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dprE1 FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase (13 Activities)

Discover Target: dprE1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 5 mg/mL (10.95 mM); Ethanol: 4 mg/mL (8.76 mM); Water: Insoluble
• Peso molecolare: 456.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 456.144 Da
• Monoisotopic Mass: 456.144 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 715.000
• 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: 1

Domande frequenti

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 1377239-83-2, the molecular formula is C20H23F3N4O3S, and the molecular weight is 456.48 g/mol. InChIKey BJDZBXGJNBMCAV-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.