CAS 14173-40-1|PCPA methyl ester hydrochloride

Introduction:Basic information about CAS 14173-40-1|PCPA methyl ester hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NamePCPA methyl ester hydrochloride
CAS Number14173-40-1Molecular Weight250.122
Density/Boiling Point296.3ºC at 760 mmHg
Molecular FormulaC10H13Cl2NO2Melting Point186-189 °C(lit.)
MSDSChineseFlash Point133ºC

Names

Name4-Chloro-DL-phenylalanine methyl ester hydrochloride
SynonymMore Synonyms

PCPA methyl ester hydrochloride BiologicalActivity

DescriptionPCPA methyl ester hydrochloride (4-Chloro-DL-phenylalanine methyl ester hydrochloride), a reversible tryptophan hydroxylase inhibitor, is a serotonin (5-HT) synthesis inhibitor. PCPA methyl ester hydrochloride crosses the blood brain barrier and reduces 5-HT central availability[1][2].
Related CatalogSignaling Pathways >>Metabolic Enzyme/Protease >>Tryptophan HydroxylaseResearch Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT Receptor
Target

serotonin

Tryptophan Hydroxylase

In VivoPCPA methyl ester hydrochloride (250-500 mg/kg; oral administration; daily; for 8 weeks) treatment significantly decreases serotonin levels in both hippocampus and cortex[3]. In C57BL/6 elite male mice, 5-HT levels decreased by 85% and 55% in the hippocampus of mice treated with oral or ip PCPA methyl ester hydrochloride, respectively, whereas in the prefrontal cortex, 5-HT levels decreased by 65% (oral) and 50% (ip)[3]. Animal Model: C57BL/6 elite male mice (3 months old)[3] Dosage: 500 mg/kg per day for the first 2 days and 250 mg/kg for the rest of the treatment Administration: Oral administration; daily; for 8 weeks Result: Serotonin levels were significantly decreased in both hippocampus and cortex.
References

[1]. Dool-Ri Oh, et al. Sedative and hypnotic effects of Vaccinium bracteatum Thunb. through the regulation of serotonegic and GABA A-ergic systems: Involvement of 5-HT 1A receptor agonistic activity. Biomed Pharmacother. 2019 Jan;109:2218-2227.

[2]. Fabio Bellia, et al. Transient serotonin depletion at adolescence, but not at early infancy, reduced subsequent anxiety-like behavior and alcohol intake in female mice. Psychopharmacology (Berl). 2021 Jan;238(1):215-225.

[3]. ocío B Foltran, et al. Neurochemical, Behavioral, and Neurogenic Validation of a Hyposerotonergic Animal Model by Voluntary Oral Consumption of para-Chlorophenylalanine. ACS Chem Neurosci. 2020 Mar 18;11(6):952-959.

Chemical & Physical Properties

Boiling Point296.3ºC at 760 mmHg
Melting Point186-189 °C(lit.)
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.122
Flash Point133ºC
Exact Mass249.032333
PSA52.32000
LogP2.88510
InChIKeyGCBCWTWQAFLKJG-UHFFFAOYSA-N
SMILESCOC(=O)C(N)Cc1ccc(Cl)cc1.Cl
Storage condition−20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY4452100
CHEMICAL NAME :
Alanine, 3-(p-chlorophenyl)-, methyl ester, hydrochloride, DL-
CAS REGISTRY NUMBER :
14173-40-1
LAST UPDATED :
198910
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H12-Cl-N-O2.Cl-H
MOLECULAR WEIGHT :
250.14

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
400 mg/kg
SEX/DURATION :
male 4 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
REFERENCE :
SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 166,1433,1969

Safety Information

Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard CodesXi
Risk PhrasesR36/37/38
Safety PhrasesS24/25
RIDADRNONH for all modes of transport
WGK Germany3
RTECSAY4452100
HS Code2922499990

Customs

HS Code2922499990
SummaryHS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Synonyms

4-Chloro-DL-Phe-OMe HCl
3-(4-Chlorophenyl)-1-methoxy-1-oxo-2-propanaminium chloride
Benzeneethanaminium, 4-chloro-α-(methoxycarbonyl)-, chloride (1:1)
MFCD00012530
methyl 2-amino-3-(4-chlorophenyl)propanoate,hydrochloride
DL-4-Chlorophenylalanine methyl ester hydrochloride
UNII:OC0YKX1H41
Methyl 2-amino-3-(4-chlorophenyl)propanoate hydrochloride
DL-p-Chlorophenylalanine methyl ester hydrochloride
EINECS 238-024-0
H-DL-Phe(4-Cl)-OMe.HCl
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