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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8BrNO2
Molecular Weight 218.048
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROCRESINE

SMILES

NOCC1=CC(O)=C(Br)C=C1

InChI

InChIKey=QNWOSJAGFSUDFE-UHFFFAOYSA-N
InChI=1S/C7H8BrNO2/c8-6-2-1-5(4-11-9)3-7(6)10/h1-3,10H,4,9H2

HIDE SMILES / InChI
Molecular Formula C7H8BrNO2
Molecular Weight 218.048
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Brocresine, an aromatic L-amino acid decarboxylase inhibitor with both a peripheral and central action was shown to potentiate the therapeutic effect of levodopa in Parkinson's disease.

CNS Activity

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
 10.0 nM [IC50]
Aromatic-L-amino-acid decarboxylase
5
Target ID: P14173
Gene ID: 24311.0
Gene Symbol: Ddc
Target Organism: Rattus norvegicus (Rat)
Inhibitor
8297
 500.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Secondary
Phase I
428
Unknown

Approved Use

Unknown
Doses

Doses

DosePopulationAdverse events​
300 mg 3 times / day multiple, oral
Highest studied dose
Dose: 300 mg, 3 times / day
Route: oral
Route: multiple
Dose: 300 mg, 3 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/4570903
Page: p.28
unhealthy
n = 1
Health Status: unhealthy
Condition: Parkinson's disease
Sex: unknown
Food Status: UNKNOWN
Population Size: 1
Sources:
https://pubmed.ncbi.nlm.nih.gov/4570903
Page: p.28
Other AEs: Epigastric burning...
Other AEs:
Epigastric burning
Sources:
https://pubmed.ncbi.nlm.nih.gov/4570903
Page: p.28
AEs

AEs

AESignificanceDosePopulation
Epigastric burning
300 mg 3 times / day multiple, oral
Highest studied dose
Dose: 300 mg, 3 times / day
Route: oral
Route: multiple
Dose: 300 mg, 3 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/4570903
Page: p.28
unhealthy
n = 1
Health Status: unhealthy
Condition: Parkinson's disease
Sex: unknown
Food Status: UNKNOWN
Population Size: 1
Sources:
https://pubmed.ncbi.nlm.nih.gov/4570903
Page: p.28
Sourcing

Sourcing

Vendor/AggregatorIDURL
1PlusChem LLC
1P01BB88
https://www.1pchem.com/search?query=1P01BB88
A2B Chem
AW06584
http://a2bchem.com/prod/AW06584
AA Blocks
AA01BAOS
http://aablocks.com/goods/Goods/detail?id=AA01BAOS
AK Scientific
SYN5502
https://aksci.com/item_detail.php?cat=SYN5502
AOBIOUS INC
AOB5296
http://aobious.com/aobious/search?search_query=AOB5296
Alfa Chemistry
ACM555657
http://www.alfa-chemistry.com/search.aspx?q=ACM555657
Chemspace
CSC000731112
https://chem-space.com/CSC000731112
Enamine
BBV-40208234
http://www.enaminestore.com/catalog/BBV-40208234
Enamine
EN300-210717
https://www.enaminestore.com/catalog/EN300-210717
Enamine
EN300-211634
https://www.enaminestore.com/catalog/EN300-211634
KeyOrganics
AS-16839
http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-16839
MolPort
MolPort-038-948-370
https://www.molport.com/shop/molecule-link/MolPort-038-948-370
MolPort
MolPort-038-948-545
https://www.molport.com/shop/molecule-link/MolPort-038-948-545
eMolecules
302096916
https://orderbb.emolecules.com/search/#?query=302096916
eMolecules
53841602
https://orderbb.emolecules.com/search/#?query=53841602
eMolecules
53842842
https://orderbb.emolecules.com/search/#?query=53842842
mcule
MCULE-4860116234
https://mcule.com/MCULE-4860116234/
PubMed

PubMed

TitleDatePubMed
S-adenosylmethionine decarboxylase from baker's yeast.
1975 Oct
Metabolic consequences and vulnerability to diet-induced obesity in male mice under chronic social stress.
2009
Patents

Patents

US3651236
1
US9757456
1

Sample Use Guides

In Vivo Use Guide
Curator's Comment: In humans: 300 mg thrice daily, orally. https://www.ncbi.nlm.nih.gov/pubmed/4570903
With the dose given (200 mg/kg i.p.) brocresine caused inhibition of gastric histidine decarboxylase activity in both normal and vagally denervated rats.
Route of Administration: Intraperitoneal
In Vitro Use Guide
Tyrosine hydroxylase activity was assessed by incubation of hypothalamic cells for 1 h with 100 uM brocresine, an inhibitor of aromatic L-amino acid decarboxylase.
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:10:26 GMT 2023
Edited
by admin
on Fri Dec 15 15:10:26 GMT 2023
Record UNII
11F6O06WN0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROCRESINE
INN   MART.   USAN  
USAN   INN  
Official Name English
CL-108756
Code English
.ALPHA.-(AMINOOXY)-6-BROMO-M-CRESOL
Systematic Name English
CL-54998
Code English
NSD1055
Code English
BROCRESINE [MART.]
Common Name English
CL 54998
Code English
BROCRESINE [USAN]
Common Name English
PHENOL, 5-((AMINOOXY)METHYL)-2-BROMO-
Systematic Name English
brocresine [INN]
Common Name English
CL 108,756
Code English
NSD 1055
Code English
NSD-1055
Code English
Classification Tree Code System Code
NCI_THESAURUS C471
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
Code System Code Type Description
PUBCHEM
11151
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
INN
2336
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106020
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
CAS
555-65-7
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
NCI_THESAURUS
C76659
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
EVMPD
SUB05896MIG
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID40204080
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
SMS_ID
100000088665
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
FDA UNII
11F6O06WN0
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
Related Record Type Details
Structure of BROCRESINE
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