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NOBA

CAT: 0804-HY-137799-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137799-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NOBA is a synthetic chromogenic substrate that can be used to detect the enzyme activity of AplTX-II. NOBA can be used in the research of phospholipid hydrolysis[1].
CAS Number
55894-52-5
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
98.61
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)C1=CC=C([N+]([O-])=O)C(OC(CCCCCCC)=O)=C1
Molecular Formula
C15H19NO6
Molecular Weight
309.31
Precautions
H315, H319, H335
References & Citations
[1]Resende LM, et al. Structural, enzymatic and pharmacological profiles of AplTX-II - A basic sPLA2 (D49) isolated from the Agkistrodon piscivorus leucostoma snake venom. Int J Biol Macromol. 2021 Apr 1;175:572-585.
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

4-Nitro-3-(octanoyloxy)benzoic acid
CAS Number55894-52-5
PubChem CID20112083
IUPAC Name4-nitro-3-octanoyloxybenzoic acid
Molecular FormulaC15H19NO6
Molecular Weight309.31
XLogP4
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity392
SMILES
CCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C15H19NO6/c1-2-3-4-5-6-7-14(17)22-13-10-11(15(18)19)8-9-12(13)16(20)21/h8-10H,2-7H2,1H3,(H,18,19)
InChIKey
VDCATWRTRISVBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitro-3-(octanoyloxy)benzoic acid
CAS: 55894-52-5
CID: 20112083
Formula: C15H19NO6
MW: 309.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.31
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass309.12123733
Monoisotopic Mass309.12123733
Topological Polar Surface Area109 Ų
Heavy Atom Count22
Formal Charge0
Complexity392
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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