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TBA-354  - ≥98%, high purity , CAS No.1257426-19-9

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
T733022
Grouped product items
SKU Size
Availability
 Price Qty
T733022-2mg
2mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$211.90
T733022-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$317.90
T733022-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,108.90
Wish List
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Basic Description

Specifications & Purity ≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pyridines and derivatives
Subclass Phenylpyridines
Intermediate Tree Nodes Not available
Direct Parent Phenylpyridines
Alternative Parents Phenoxy compounds  Phenol ethers  Nitroimidazoles  Nitroaromatic compounds  Alkyl aryl ethers  Imidolactams  N-substituted imidazoles  Heteroaromatic compounds  Trihalomethanes  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Azacyclic compounds  Dialkyl ethers  Organic oxoazanium compounds  Organonitrogen compounds  Hydrocarbon derivatives  Organic oxides  Organic salts  Organofluorides  Alkyl fluorides  Organic cations  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents 2-phenylpyridine - Phenoxy compound - Nitroaromatic compound - Nitroimidazole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Trihalomethane - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Halomethane - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Organic cation - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors Not available

Associated Targets(Human)

Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lung (9 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (6S)-2-nitro-6-[[6-[4-(trifluoromethoxy)phenyl]pyridin-3-yl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
INCHI InChI=1S/C19H15F3N4O5/c20-19(21,22)31-14-4-2-13(3-5-14)16-6-1-12(7-23-16)10-29-15-8-25-9-17(26(27)28)24-18(25)30-11-15/h1-7,9,15H,8,10-11H2/t15-/m0/s1
InChIKey ZXSGSFMORAILEY-HNNXBMFYSA-N
Smiles C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CN=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F
Isomeric SMILES C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CN=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F
Alternate CAS 1257426-19-9
PubChem CID 49836057
MeSH Entry Terms 2-nitro-6-((6-(4-trifluoromethoxy)phenyl)pyridine-3-yl)methoxy)-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine;SN31354;TBA-354

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 436.300 g/mol
XLogP3 3.400
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Exact Mass 436.099 Da
Monoisotopic Mass 436.099 Da
Topological Polar Surface Area 104.000 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 614.000
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

Solution Calculators

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