SPR719 - Moligand™,≥98% , CAS No.1384984-18-2

CAS: 1384984-18-2 Cat. No.: S648403 Summenformel: C₂₁H₂₅FN₆O₃ Molekulargewicht: 428.46

GRADE & PURITY Moligand™, ≥98%

Synonyms

GLXC-26894 | SPR719 | SPR-719 | BDBM50393079 | N-Ethyl-N'-(6-fluoro-5-(2-(1-hydroxy-1-methylethyl)-5-pyrimidinyl)-7-((2R)-tetrahydro-2-furanyl)-1H-benzimidazol-2-yl)urea | 1384984-18-2 | SCHEMBL10319524 | VXc-486 | 0O34AIS1YE | HY-12930 | MS-27581 | (R)-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

SPR719 (VXc-486) is a gyrase B inhibitor, with bactericidal activity. SPR719 potently inhibits multiple agent-sensitive isolates and drug-resistant isolates of Mycobacterium tuberculosis , with MICs of 0.03 to 0.30 μg/ml and 0.08 to 5.48 μg/ml, respectively

Form:Solid

IC50& Target:gyrase B

Specifications

Synonyme

GLXC-26894 | SPR719 | SPR-719 | BDBM50393079 | N-Ethyl-N'-(6-fluoro-5-(2-(1-hydroxy-1-methylethyl)-5-pyrimidinyl)-7-((2R)-tetrahydro-2-furanyl)-1H-benzimidazol-2-yl)urea | 1384984-18-2 | SCHEMBL10319524 | VXc-486 | 0O34AIS1YE | HY-12930 | MS-27581 | (R)-1

Spezifikationen & Reinheit

Moligand™,≥98%

Biochemische und physiologische Mechanismen

SPR719 (VXc-486) is a gyrase B inhibitor, with bactericidal activity. SPR719 potently inhibits multiple agent-sensitive isolates and drug-resistant isolates of Mycobacterium tuberculosis , with MICs of 0.03 to 0.30 μg/ml and 0.08 to 5.48 μg/ml, respective

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CCNC(=O)NC1=NC2=C(N1)C=C(C(=C2C3CCCO3)F)C4=CN=C(N=C4)C(C)(C)O

IUPAC Name

1-ethyl-3-[5-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-4-[(2R)-oxolan-2-yl]-1H-benzimidazol-2-yl]urea

InChIKey

BKUISYCLLXCBJV-CQSZACIVSA-N

INCHI

1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1

Isomere SMILES

CCNC(=O)NC1=NC2=C(N1)C=C(C(=C2[C@H]3CCCO3)F)C4=CN=C(N=C4)C(C)(C)O

Alternative CAS-Nummer

1384984-18-2

MeSH-Eintrag

VXc-486

Molekulargewicht

428.46

Reaxy-Rn

46617077

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46617077&ln=

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: Phenylpyrimidines
• Alternative Parents: Benzimidazoles Aryl fluorides Benzenoids Tertiary alcohols Oxolanes Imidazoles Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylpyrimidine - Benzimidazole - Aryl fluoride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Tertiary alcohol - Oxolane - Imidazole - Urea - Oxacycle - Azacycle - Dialkyl ether - Ether - Alcohol - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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: DMSO : 20 mg/mL (46.68 mM; ultrasonic and adjust pH to 2 with HCl)
• Molekulargewicht: 428.500 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 428.197 Da
• Monoisotopic Mass: 428.197 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 632.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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 1384984-18-2, the molecular formula is C21H25FN6O3, and the molecular weight is 428.46 g/mol. InChIKey BKUISYCLLXCBJV-CQSZACIVSA-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.