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

CAS: 1384984-18-2 Cat. No.: S648403 분자식: C₂₁H₂₅FN₆O₃ 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

정식 스마일

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

이성체 SMILES

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

대체 CAS

1384984-18-2

MeSH 용어

VXc-486

분자량

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
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 20 mg/mL (46.68 mM; ultrasonic and adjust pH to 2 with HCl)
• 분자량: 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

자주 묻는 질문

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.