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158848-32-9

中文名稱 ({1-[2-(5-氟-1H-吲哚-3-基)乙基]-4-甲氧基-4-哌啶基}甲基)(苯基)锍醇
英文名稱 5-FLUORO-3-[2-[4-METHOXY-4-[[(R)-PHENYLSULPHINYL]METHYL]-1-PIPERIDINYL]ETHYL]-1H-INDOLE
CAS 158848-32-9
分子式 C23H27FN2O2S
分子量 414.54
MOL 文件 158848-32-9.mol
158848-32-9 結(jié)構(gòu)式 158848-32-9 結(jié)構(gòu)式

基本信息

中文別名
({1-[2-(5-氟-1H-吲哚-3-基)乙基]-4-甲氧基-4-哌啶基}甲基)(苯基)锍醇
英文別名
GR 159897
5-Fluoro-3-[2-[4-methoxy-4-[[-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole
(R)-5-Fluoro-3-[2-[4-methoxy-4-[(phenylsulfinyl)methyl]-1-piperidinyl]ethyl]-1H-indole
5-Fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]-1-piperidinyl]ethyl]-1H-indole
5-FLUORO-3-[2-[4-METHOXY-4-[[(R)-PHENYLSULPHINYL]METHYL]-1-PIPERIDINYL]ETHYL]-1H-INDOLE
1H-Indole, 5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]-1-piperidinyl]ethyl]-

物理化學(xué)性質(zhì)

沸點(diǎn)600.2±55.0 °C(Predicted)
密度1.29±0.1 g/cm3(Predicted)
儲(chǔ)存條件−20°C
儲(chǔ)存條件−20°C
溶解度DMSO: ~24 mg/mL, soluble
溶解度DMSO:~24 mg/mL
酸度系數(shù)(pKa)16.46±0.30(Predicted)
形態(tài)solid
顏色off-white

安全數(shù)據(jù)

WGK Germany3
WGK Germany3

常見(jiàn)問(wèn)題列表

生物活性
GR 159897 是一種高效,選擇性,競(jìng)爭(zhēng)性,可通過(guò)血腦屏障的非肽神經(jīng)激肽 2 (NK2) 受體拮抗劑。GR 159897 對(duì) NK1 和 NK3 受體幾乎沒(méi)有親和力。GR 159897 抑制 [3H]GR100679 與人 NK2-CHO 細(xì)胞和大鼠結(jié)腸膜的結(jié)合,pKi 值分別為 9.51 和 10。拮抗支氣管收縮。抗焦慮和抗腫瘤作用。
靶點(diǎn)

NK2

10 (pKi, Rat colon membrane)

hNK2

9.51 (pKi, CHO cell)

體外研究

GR 159897 (10-30 μM; 72 hours; 4T1, 4THM, 4TLM and 67NR cells) treatment inhibits proliferation of cells in all cell lines dose- dependently, a response more pronounced in 4T1, 4THM and 4TLM cells compared to 67NR cells.
GR 159897 (10-30 μM; 72 hours; 4TBM, 4TLM, 4THM and 4T1 cells) treatment increases phosphorylation of P38, while inhibiting AKT activation in all metastatic cell lines whereas phosphorylation of ERK decreased in 4TBM, 4TLM and 4THM but not in 4T1 cells.

Cell Proliferation Assay

Cell Line: 4T1, 4THM, 4TLM and 67NR cells
Concentration: 10 μM, 30 μM
Incubation Time: 72 hours
Result: Inhibited proliferation of cells in all cell lines dose- dependently, a response more pronounced in 4T1, 4THM and 4TLM cells compared to 67NR cells.

Western Blot Analysis

Cell Line: 4TBM, 4TLM, 4THM and 4T1 cells
Concentration: 10 μM, 30 μM
Incubation Time: 40 hours
Result: Increased phosphorylation of P38.
體內(nèi)研究

GR 159897 (0.12 mg/kg; intravenous injection; guinea-pigs) treatment potently antagonizes bronchoconstriction induced by GR64349, with a long duration of action (3 h).

Animal Model: Guinea-pigs
Dosage: 0.12 mg/kg
Administration: Intravenous injection
Result: Potently antagonised bronchoconstriction induced by GR64349, with a long duration of action (3 h).
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