BROCRESINE

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 Search

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/4570903 | https://www.ncbi.nlm.nih.gov/pubmed/5347413

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

Targets

Primary Target	Pharmacology	Condition	Potency
Histidine decarboxylase 9 Target ID: CHEMBL3243911 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6504233 \| https://www.ncbi.nlm.nih.gov/pubmed/6056583	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) Sources: https://www.ncbi.nlm.nih.gov/pubmed/6056583	Inhibitor 8297		500.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Parkinson's disease 226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/4570903	Secondary		Phase I 428	Unknown Approved Use Unknown

Doses

Dose	Population	Adverse 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

AE	Significance	Dose	Population
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

Vendor/Aggregator	ID	URL
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

Title	Date	PubMed
S-adenosylmethionine decarboxylase from baker's yeast.	1975 Oct	1108876
Metabolic consequences and vulnerability to diet-induced obesity in male mice under chronic social stress.	2009	19180229

Patents

Sample Use Guides

In Vivo Use Guide

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.

Name

Type

Language

BROCRESINE

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