O111
Octoclothepin maleate salt
solid
別名:
1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine maleate salt
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この商品について
実験式（ヒル表記法）:
C19H21ClN2S · C4H4O4
CAS番号:
分子量:
460.97
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Form:
solid
Quality level:
form
solid
Quality Level
color
white
solubility
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >21 mg/mL
SMILES string
[H]\C(=C(/[H])C(O)=O)C(O)=O.CN1CCN(CC1)C2Cc3ccccc3Sc4ccc(Cl)cc24
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-
InChI key
GWKBZIADWSOIQV-BTJKTKAUSA-N
Gene Information
human ... DRD2(1813), HTR2A(3356), HTR2B(3357), HTR2C(3358)
Biochem/physiol Actions
D2 dopamine receptor antagonist; 5-HT2 serotonin receptor antagonist.
signalword
Danger
hcodes
pcodes
Hazard Classifications
Acute Tox. 3 Oral
保管分類
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
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
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.
グローバルトレードアイテム番号
| カタログ番号 | GTIN |
|---|---|
| 437627-5MGCN | 04055977187472 |
| LPS25 | 04053252324598 |
| 437620-5MGCN | 04055977210378 |