129722-25-4

129722-25-4 structure

Name: 7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one
Chemical Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CAS Number: 129722-25-4
Molecular Formula: C₂₃H₂₅Cl₂N₃O₂
Molecular Weight: 446.370
Catalog: analytical chemistry Standard standard material
Create Date: 2018-12-10 11:43:02
Modify Date: 2024-01-02 10:37:48
Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].

Name	7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
Synonyms	7-{4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy}-2(1H)-quinolinone dehydro aripiprazole UNII-2S514OZH3B QUI013 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]- 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}quinolin-2-ol Aripiprazole Impurity 1 Aripiprazole - Impurity E

Description	Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].
Related Catalog	Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor
Target	5-HT1A Receptor:4.2 nM (Ki)
References	[1]. Kirschbaum KM, et al. Serum levels of aripiprazole and dehydroaripiprazole, clinical response and side effects. World J Biol Psychiatry. 2008;9(3):212-8. [2]. Lin SK, et al. Aripiprazole and dehydroaripiprazole plasma concentrations and clinical responses in patients with schizophrenia. J Clin Psychopharmacol. 2011 Dec;31(6):758-62. [3]. Hui-ChingHuang, et al. Detection and quantification of aripiprazole and its metabolite, dehydroaripiprazole, by gas chromatography–mass spectrometry in blood samples of psychiatric patients. Journal of Chromatography B. Volume 856, Issues 1-2, 1 September 2007, Pages 57-61. [4]. Stip E, Tourjman V. et al. Aripiprazole in schizophrenia and schizoaffective disorder: A review. Clin Ther. 2010;32 Suppl 1:S3-20.

Density	1.3±0.1 g/cm3
Boiling Point	654.4±55.0 °C at 760 mmHg
Molecular Formula	C₂₃H₂₅Cl₂N₃O₂
Molecular Weight	446.370
Flash Point	349.6±31.5 °C
Exact Mass	445.132385
PSA	48.57000
LogP	5.64
Vapour Pressure	0.0±2.0 mmHg at 25°C
Index of Refraction	1.605
Storage condition	?20°C

Symbol	GHS02, GHS06, GHS08
Signal Word	Danger
Hazard Statements	H225-H301 + H311 + H331-H370-H412
Precautionary Statements	P210-P280-P302 + P352 + P312-P304 + P340 + P312-P370 + P378-P403 + P235
Hazard Codes	F,T
Risk Phrases	11-23/24/25-39/23/24/25-52/53
Safety Phrases	16-36/37-45-61
RIDADR	UN 3286 8(6.1)(3) / PGII
HS Code	2933990090

129722-12-9

~93%

129722-25-4

Literature: Alkermes, Inc. Patent: US2011/275803 A1, 2011 ; Location in patent: Page/Page column 60-61 ;

41202-77-1

203395-59-9

~49%

129722-25-4

Literature: Oshiro, Yasuo; Sato, Seiji; Kurahashi, Nobuyuki; Tanaka, Tatsuyoshi; Kikuchi, Tetsuro; Tottori, Katsura; Uwahodo, Yasufumi; Nishi, Takao Journal of Medicinal Chemistry, 1998 , vol. 41, # 5 p. 658 - 667

70500-72-0

129722-25-4

Literature: Journal of Medicinal Chemistry, , vol. 41, # 5 p. 658 - 667

Precursor 4
129722-12-9 41202-77-1 203395-59-9 70500-72-0
DownStream 0

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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