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Walrycin-B

CAT: 0013-GTR19160917-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19160917-01Size:1 g
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Description
A novel baterial WalR response regulator; simultaneously affects the expression of WalR regulon genes, leading to phenotypes consistent with those of cells starved for the WalK/WalR system and having a bactericidal effect; shows MICs of 0.39 mg/mL and 3.13 mg/mL against B. subtilis 168 and S. aureus N315, respectively.
CAS Number
878419-78-4
Product Name Alternative
Walrycin B
Purity
>98% (HPLC)
Solubility
DMSO: 11.5 mg/mL
Smiles
O=C (C1=NC (C2=CC=C (C (F) (F) F) C=C2) =NN (C) C1=N3) N (C) C3=O
Molecular Formula
C14H10F3N5O2
Molecular Weight
337.2567
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Pyrimido[5,4-e]-1,2,4-triazine-5,7 (1H,6H) -dione, 1,6-dimethyl-3-[4- (trifluoromethyl) phenyl]-

Chemical Information

walrycin B
CAS Number878419-78-4
PubChem CID3164070
IUPAC Name1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26
XLogP1.9
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity674
SMILES
CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
InChI
InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
InChIKey
XRVMPTWWKLKLPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of walrycin B
CAS: 878419-78-4
CID: 3164070
Formula: C14H10F3N5O2
MW: 337.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.26
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass337.07865906
Monoisotopic Mass337.07865906
Topological Polar Surface Area77.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T1832-01Walrycin B
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SC3332-25mgWalrycin B (antibacterial)
HY-18219R-01Walrycin B (Standard)
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A11819-2Walrycin B 2mg
A11819-200Walrycin B 200mg
A11819-50Walrycin B 50mg
A11819-25Walrycin B 25mg
A11819-100Walrycin B 100mg

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