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Merck
CN

O111

Octoclothepin 马来酸盐

solid

别名:

1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine maleate salt

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关于此项目

经验公式（希尔记法）:
C19H21ClN2S · C4H4O4
化学文摘社编号:
4789-68-8
分子量:
460.97
NACRES:
NA.77
PubChem Substance ID:
24277921
UNSPSC Code:
12352200
MDL number:
MFCD00153855

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InChI

1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

SMILES string

[H]\C(=C(/[H])C(O)=O)C(O)=O.CN1CCN(CC1)C2Cc3ccccc3Sc4ccc(Cl)cc24

InChI key

GWKBZIADWSOIQV-BTJKTKAUSA-N

form

solid

color

white

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >21 mg/mL

Quality Level

200

Gene Information

human ... DRD2(1813), HTR2A(3356), HTR2B(3357), HTR2C(3358)

Biochem/physiol Actions

D2 dopamine receptor antagonist; 5-HT2 serotonin receptor antagonist.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

存储类别

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
068H4732V

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B G Tehan et al.
Journal of molecular graphics & modelling, 19(5), 417-426 (2001-09-13)
In an attempt to elucidate some aspects of clozapine's favorable receptor binding profile, we modeled a series of 30 clozapine analogs using a pharmacophore based on the ligands octoclothepin and tefludazine. Molecular field analysis using CoMFA combined with HINT was
Da Hyun Kim et al.
Journal of dairy science, 102(9), 7707-7716 (2019-07-22)
Maillard reaction products formed from whey protein isolate (WPI) and sugar have been shown to have an anti-inflammatory effect in vitro. Here, we incubated WPI and galactose (GWA) in an aqueous solution at 65°C for 24 h to produce a
T Liljefors et al.
Journal of medicinal chemistry, 31(2), 306-312 (1988-02-01)
Conformational analysis with molecular mechanics (MM2(85] and molecular superimposition studies of (1R,3S)-(+)- and (1S,3R)-(-)-4-[3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]-1- piperazineethanol (tefludazine) and (S)-(+)- and (R)-(-)-octoclothepin have been employed to identify biologically active conformations of these compounds with respect to dopamine receptor antagonism and amine-uptake inhibition.
K P Bøgesø et al.
Journal of medicinal chemistry, 34(7), 2023-2030 (1991-07-01)
Octoclothepin (1) was resolved into its R and S enantiomers via the diastereomeric tartaric acid salts. The enantiomers were shown to be of high optical purity by 1H NMR with use of the chiral shift reagent (R)-(-)-2,2,2-trifluoro-1-(9-anthryl)ethanol. Pharmacological and biochemical
Tetsuji Aoyagi et al.
Shock (Augusta, Ga.), 52(1), 83-91 (2018-07-22)
Excessive inflammation reactions with a cytokine storm in the lungs have historically been thought as the primary cause of fatal acute respiratory distress syndrome (ARDS). However, interruption of inflammatory cytokine activation failed to attenuate ARDS, suggesting that other therapies are
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