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C2 Ceramide (d14:1/2:0)

CAT: 0804-HY-116877Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-116877Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C2 Ceramide (d14:1/2:0) is a composition for diagnosing diseases associated with cyclooxygenase 2 (COX2) overexpression. C2 Ceramide (d14:1/2:0) exhibits a strong binding activity to COX2 protein (extracted from patent WO2019235824A1) .
CAS Number
2097561-20-9
UNSPSC
12352211
Target
COX
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/c2-ceramide-d14-1-2-0.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCCC/C=C/[C@H]([C@H](CO)NC(C)=O)O
Molecular Formula
C16H31NO3
Molecular Weight
285.42
References & Citations
[1]Composition for diagnosing diseases associated with cox2 overexpression and screening method therefor. Patent WO2019235824A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

C2 Ceramide (d14:1/2:0)

N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]acetamide is an organic molecular entity.

CAS Number2097561-20-9
PubChem CID137700331
IUPAC NameN-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]acetamide
Molecular FormulaC16H31NO3
Molecular Weight285.42
XLogP3.4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count20
Formal Charge0
Complexity266
SMILES
CCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C)O
InChI
InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-16(20)15(13-18)17-14(2)19/h11-12,15-16,18,20H,3-10,13H2,1-2H3,(H,17,19)/b12-11+/t15-,16+/m0/s1
InChIKey
CJDUQSUHEWFQMO-HMUVLFPJSA-N
Chemical Structure
2D Structure
2D structure of C2 Ceramide (d14:1/2:0)
CAS: 2097561-20-9
CID: 137700331
Formula: C16H31NO3
MW: 285.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.42
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass285.23039385
Monoisotopic Mass285.23039385
Topological Polar Surface Area69.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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