APADENOSON

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30N6O6
Molecular Weight	486.5209
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=C(N=C3N)C#CC[C@H]4CC[C@@H](CC4)C(=O)OC

InChI

InChIKey=FLEVIENZILQUKB-XTWQNQIISA-N

InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H30N6O6
Molecular Weight	486.5209
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://adisinsight.springer.com/drugs/800013850 | https://www.pharmacodia.com/yaodu/html/v1/chemicals/4f7e82050e79d3f6a24897b6413cb90f.html | https://www.ncbi.nlm.nih.gov/pubmed/17280881

Apadenoson (BMS-068645) is a selective adenosine 2A agonist that contains a methyl ester group which undergoes esterase hydrolysis to its acid metabolite. Apadenoson had been in phase III clinical trials by Forest (now a part of Allergan) for the treatment of coronary artery disease. However, this study has been terminated.

Originator

Approval Year

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Coronary artery disease: Apadenoson single bolus IV injection 100 or 150 ug

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:16:16 GMT 2023` Edited by `admin` on `Fri Dec 15 16:16:16 GMT 2023`
Record UNII	BTS1Y6777M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APADENOSON

Official Name

English

METHYL TRANS-4-(3(6-AMINO-9-(N-ETHYL-.BETA.-D-RIBOFURANOSYLURONAMIDE)-9H-PURIN-2-YL)PROP-2-YNYL)CYCLOHEXANECARBOXYLATE

Systematic Name

English

BMS-068645

Code

English

Apadenoson [WHO-DD]

Common Name

English

BMS068645

Code

English

APADENOSON [USAN]

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 4-(3(6-AMINO-9-(N-ETHYL-.BETA.-D-RIBOFURANURONAMIDOSYL)-9H-PURIN-2-YL)-2-PROPNYL)-, METHYL ESTER, TRANS-

Systematic Name

English

DWH-146E

Code

English

apadenoson [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707