1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-β-D-ribofuranuronamide
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1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-β-D-ribofuranuronamide
structure -
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CAS No:
35920-39-9
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Formula:
C12H16N6O4
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Chemical Name:
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-β-D-ribofuranuronamide
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Synonyms:
β-D-Ribofuranuronamide,1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-;1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-β-D-ribofuranuronamide;744-96;Adenosine 5′-ethylcarboxamide;5′-N-Ethylcarboxamidoadenosine;Adenosine 5′-N-ethylcarboxamide;NECA;5′-N6-Ethylcarboxamidoadenosine;D-NECA;100111-00-0;110282-65-0;74992-42-0;84272-21-9
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CAS No:
Description
5'-N-Ethylcarboxamidoadenosine (NECA) is a nonselective adenosine receptor agonist.
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 adenosine A1 receptor agonist, an adenosine A2A receptor agonist, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an antineoplastic agent and a vasodilator agent. It is a member of adenosines and a monocarboxylic acid amide. It derives from an adenosine.|A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-β-D-ribofuranuronamide Basic Attributes
308.29
308.29
2934999090
Characteristics
148.41000
-0.48
white powder
1.9±0.1 g/cm3
229-231°C
1.829
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.2 mg/mL Solutions may be stored for several days at 4?#x00b0;C.
2-8°C
Oral-mouse LD50: 5 mg/kg; peritoneal-mouse LD50: 0.5 mg/kg
Flammable; burning releases toxic nitrogen oxide fumes
Safety Information
I
6.1(a)
UN 2811 6.1/PG 2
3
28
22-26-36-45
VJ2232000
T+
Treasury is ventilated, low temperature and dry; stored separately from food materials
P264-P301 + P310
H300
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Drug Information
Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)|Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)
5' N Ethylcarboxamidoadenosine
1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-β-D-ribofuranuronamide Use and Manufacturing
A potent adenosine receptor agonist.Inhibits platelet aggregation and is centrally active in vivo
Computed Properties
Molecular Weight:308.29
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:308.12330301
Monoisotopic Mass:308.12330301
Topological Polar Surface Area:148
Heavy Atom Count:22
Complexity:426
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-β-D-ribofuranuronamide
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1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-β-D-ribofuranuronamide
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