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5'-N-Ethylcarboxamidoadenosine

CAT: 0804-HY-103173-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103173-01Size:5 mg
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Description
5'-N-Ethylcarboxamidoadenosine (NECA) is a nonselective adenosine receptor agonist.
CAS Number
35920-39-9
Product Name Alternative
NECA
UNSPSC
12352005
Hazard Statement
H300
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Cancer-programmed cell death
Field of Research
Cancer; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/NECA.html
Concentration
10mM
Purity
99.86
Solubility
DMSO : 62.5 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O[C@H]1[C@H](N2C=NC3=C(N)N=CN=C23)O[C@H](C(NCC)=O)[C@H]1O
Molecular Formula
C12H16N6O4
Molecular Weight
308.29
Precautions
H300
References & Citations
[1]Knapp CM, et al. Adenosine agonists CGS 21680 and NECA inhibit the initiation of cocaine self-administration. Pharmacol Biochem Behav. 2001 Apr;68 (4) :797-803.|[2]Elsherbiny NM, et al. Reno-protective effect of NECA in diabetic nephropathy: implication of IL-18 and ICAM-1. Eur Cytokine Netw. 2012 Jul-Sep;23 (3) :78-86.
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

Neca

N-ethyl-5'-carboxamidoadenosine is a derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group. It has a role as an antineoplastic agent, a vasodilator agent, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an adenosine A1 receptor agonist and an adenosine A2A receptor agonist. It is a member of adenosines and a monocarboxylic acid amide. It is functionally related to an adenosine.

CAS Number35920-39-9
PubChem CID448222
IUPAC Name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular FormulaC12H16N6O4
Molecular Weight308.29
XLogP-0.7
Topological Polar Surface Area148
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity426
SMILES
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
InChIKey
JADDQZYHOWSFJD-FLNNQWSLSA-N
Chemical Structure
2D Structure
2D structure of Neca
CAS: 35920-39-9
CID: 448222
Formula: C12H16N6O4
MW: 308.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.29
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass308.12330301
Monoisotopic Mass308.12330301
Topological Polar Surface Area148 Ų
Heavy Atom Count22
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count4
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
sc-291071B5'-N-Ethylcarboxamidoadenosine
S6347-25mg5´-N-Ethylcarboxamidoadenosine (NECA)
S6347-5mg5'-N-Ethylcarboxamidoadenosine (NECA)
NE06155-015'-Ethylcarboxamidoadenosine
GTR19237897-012-Hexynyl-5′-N-ethylcarboxamidoadenosine
TRC-H325500-50MG2-Hexynyl-5'-N-ethylcarboxamidoadenosine
NB06327-01N6-Benzyl-5'-ethylcarboxamidoadenosine
ND59462-01N6-Dansylhexyl-5'-ethylcarboxamidoadenosine
MBS6049190-012-Iodo-5'-ethylcarboxamidoadenosine (2-Iodo-NECA)
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