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EDA-DA (TFA)

CAT: 0804-HY-147097A-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147097A-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EDA-DA is a N-terminally tagged dipeptide probe, can be used to label Peptidoglycan (PG) of bacteria. EDA-DA is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups[1].
CAS Number
87156-01-2
UNSPSC
12352211
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/eda-da-tfa.html
Purity
95.0
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
OC(C(F)(F)F)=O.OC([C@@H](C)NC([C@H](N)CC#C)=O)=O
Molecular Formula
C10H13F3N2O5
Molecular Weight
298.22
References & Citations
[1]G W Liechti, et al. A new metabolic cell-wall labelling method reveals peptidoglycan in Chlamydia trachomatis. Nature. 2014 Feb 27;506 (7489) :507-10.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Eda-DA (tfa)
CAS Number87156-01-2
PubChem CID164885338
IUPAC Name(2R)-2-[[(2R)-2-aminopent-4-ynoyl]amino]propanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC10H13F3N2O5
Molecular Weight298.22
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity337
SMILES
C[C@H](C(=O)O)NC(=O)[C@@H](CC#C)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C8H12N2O3.C2HF3O2/c1-3-4-6(9)7(11)10-5(2)8(12)13;3-2(4,5)1(6)7/h1,5-6H,4,9H2,2H3,(H,10,11)(H,12,13);(H,6,7)/t5-,6-;/m1./s1
InChIKey
BRIXKPONTJDKNO-KGZKBUQUSA-N
Chemical Structure
2D Structure
2D structure of Eda-DA (tfa)
CAS: 87156-01-2
CID: 164885338
Formula: C10H13F3N2O5
MW: 298.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.22
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass298.07765601
Monoisotopic Mass298.07765601
Topological Polar Surface Area130 Ų
Heavy Atom Count20
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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