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FBnG

CAT: 0804-HY-W073762-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W073762-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FBnG is a component of non-ribosomal peptide synthetase/polyketide synthase (NRPS/PKS), which is associated with the biosynthesis of fabrubactin (FBN). FBnG can be used for synthesis of AUTAC4 as part of FBnG- (Cys-acetamide) -CH2-PEG3-CH2-CH2-CH2-NH2.
CAS Number
2241669-86-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/fbng.html
Purity
99.74
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C2=C(N(CC3=CC=C(F)C=C3)C(SC[C@H](NC(C)=O)C(O)=O)=N2)N=C(N)N1
Molecular Formula
C17H17FN6O4S
Molecular Weight
420.43
Precautions
H302, H315, H319, H335
References & Citations
[1]Vinnik V, et al., Structural and Biosynthetic Analysis of the Fabrubactins, Unusual Siderophores from Agrobacterium fabrum Strain C58. ACS Chem Biol. 2021 Jan 15;16 (1) :125-135.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoic acid
CAS Number2241669-86-1
PubChem CID142409041
IUPAC Name(2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoic acid
Molecular FormulaC17H17FN6O4S
Molecular Weight420.4
XLogP0.4
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity687
SMILES
CC(=O)N[C@@H](CSC1=NC2=C(N1CC3=CC=C(C=C3)F)N=C(NC2=O)N)C(=O)O
InChI
InChI=1S/C17H17FN6O4S/c1-8(25)20-11(15(27)28)7-29-17-21-12-13(22-16(19)23-14(12)26)24(17)6-9-2-4-10(18)5-3-9/h2-5,11H,6-7H2,1H3,(H,20,25)(H,27,28)(H3,19,22,23,26)/t11-/m0/s1
InChIKey
DWTZTMSSTASBNX-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoic acid
CAS: 2241669-86-1
CID: 142409041
Formula: C17H17FN6O4S
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.4
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass420.10160238
Monoisotopic Mass420.10160238
Topological Polar Surface Area177 Ų
Heavy Atom Count29
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C8148-5FBnG
GTR19263598-01FBnG-amino-PEG3-C2-azido
GTR19217612-01FBnG- (Cys-acetamide) -CH2-PEG3-CH2-CH2-CH2-NH2
MBS5824065FBnG-(Cys-acetamide)-CH2-PEG3-CH2-CH2-CH2-NH2

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