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CGS21680

CGS21680 structure

CAS No:
120225-54-9
Formula:
C23H29N7O6
Chemical Name:
CGS21680
Synonyms:
Benzenepropanoic acid,4-[2-[[6-amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]-;4-[2-[[6-Amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]benzenepropanoic acid;CGS 21680;124182-57-6;160009-89-2;1169605-34-8;1254644-99-9
Categories:
Organic Chemistry > Amides

Description

ChEBI: A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group.

CGS-21680 is a derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group. It has a role as an adenosine A2A receptor agonist and an anti-inflammatory agent. It is a member of adenosines, a monocarboxylic acid and a dicarboxylic acid monoamide. It derives from an adenosine.

CGS21680 Basic Attributes

Molecular Weight：

499.5

Exact Mass：

499.52

UNII：

T5HB1E831H

DSSTox ID：

DTXSID6043882

Characteristics

PSA：

198

XLogP3：

0.88070

Density：

1.6

Drug Information

MeSH：

Compounds that selectively bind to and activate ADENOSINE A2 RECEPTORS. (See all compounds classified as Adenosine A2 Receptor Agonists.)|Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)

MeSH Entry Terms：

2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine

Computed Properties

Molecular Weight:499.5
XLogP3:0.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:499.21793167
Monoisotopic Mass:499.21793167
Topological Polar Surface Area:198
Heavy Atom Count:36
Complexity:755
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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