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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10N4O4
Molecular Weight 238.2001
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACEFYLLINE

SMILES

CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=HCYFGRCYSCXKNQ-UHFFFAOYSA-N
InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Description

Acefylline is a stimulant drug of the xanthine chemical class. It acts as an adenosine receptor antagonist. Acephylline piperazine is a theophylline derivative with a direct bronchodilator action. It has the advantages over theophylline in being far less toxic and producing minimal gastric irritation. It is indicated for the treatment of asthma, emphysema, acute and chronic bronchitis associated with bronchospasm.Acefylline relaxes smooth muscles, relieves bronchospasm & has a stimulant effect on respiration. It stimulates the myocardium & central nervous system, decreases peripheral resistance & venous pressure & causes diuresis. The mechanism of action is still not clear, inhibition of phosphodiesterase with a resulting increase in intracellular cyclic AMP does occur, but not apparently at concentrations normally used for clinical effect. Other proposed mechanisms of action include adenosine receptor antagonism, prostaglandin antagonism & effects on intracellular calcium. Sodium phenobarbital is a non-selective central nervous system depressant that is primarily used as sedative-hypnotic.

CNS Activity

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
27.6 µM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Etaphylline
Primary
Etaphylline
Primary
Etaphylline
Primary
Etaphylline
PubMed

PubMed

TitleDatePubMed
Esterification of 7-theophyllineacetic acid with diethylene glycol monomethyl ether.
2006 Jun
Solid-state chemistry of ambroxol theophylline-7-acetate.
2007 May
Molecularly imprinted polymers for ochratoxin a extraction and analysis.
2010 Jun
Patents

Sample Use Guides

In Vivo Use Guide
Dosage & route of administration & duration: The optimum therapeutic serum concentration is considered to range from 10 to 20 mcg/ml To avoid adverse effects the rate of infusion administration should not exceed 20 mg / min For I.M & slow I.V injection of 200 mg over at least 15 min. For IV infusion a loading dose of 4 mg/kg may be given over 20 to 30 min followed by a suggested maintenance dose of 0.5 mg /kg / hour reduced after 12 hours to 0.4 mg/kg/hour. Suggested Doses for children: 4mg/Kg by slow IV injection over at least 15 min or by infusion with a loading dose of 4 mg/kg followed by maintenance doses of: Children from 6 months to 6 years...................0.8 to 1 mg/kg/hour, reduced after the first 12 hours to 0.6 mg/kg/hour. Children over 6 years.....................................0.75 mg/kg/hour, reduced after the first 12 hours to 0.5 mg/kg/hour.
Route of Administration: Parenteral
In Vitro Use Guide
After topical application of a gel formulation containing 3% acefylline at the surface of reconstructed human epidermis, immunoblotting analysis showed an increase in the total amount of deiminated proteins, and confocal microscopy showed an enhanced deimination in the stratum corneum. This demonstrated the activation of PADs in living cells.
Name Type Language
ACEFYLLINE
MI   WHO-DD  
Common Name English
CAFFEINE CARBOXYLIC ACID
INCI  
INCI  
Official Name English
ACEFYLLINE [WHO-DD]
Common Name English
7H-PURINE-7-ACETIC ACID, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-
Common Name English
CAFFEINE CARBOXYLIC ACID [INCI]
Common Name English
7-THEOPHYLLINEACETIC ACID
Systematic Name English
NSC-52996
Code English
1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXOPURINE-7-ACETIC A
Common Name English
THEOPHYLLINE-7-ACETIC ACID
Systematic Name English
ACEFYLLINE [MI]
Common Name English
ACEPHYLLINE
Common Name English
Code System Code Type Description
EVMPD
SUB00243MIG
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY
MERCK INDEX
M1295
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY Merck Index
WIKIPEDIA
ACEFYLLINE
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY
PUBCHEM
69550
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY
EPA CompTox
652-37-9
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY
MESH
C019140
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY
ECHA (EC/EINECS)
211-490-2
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY
NCI_THESAURUS
C96200
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY
CAS
652-37-9
Created by admin on Tue Mar 06 11:56:59 UTC 2018 , Edited by admin on Tue Mar 06 11:56:59 UTC 2018
PRIMARY