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171746-21-7

中文名稱(chēng) 4-[2-[5,6-二氫-5,5-二甲基-8-(4-甲基苯基)-2-萘基]乙炔基]苯甲酸
英文名稱(chēng) 4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid
CAS 171746-21-7
分子式 C28H24O2
分子量 392.49
MOL 文件 171746-21-7.mol
171746-21-7 結(jié)構(gòu)式 171746-21-7 結(jié)構(gòu)式

基本信息

中文別名
4-[2-[5,6-二氫-5,5-二甲基-8-(4-甲基苯基)-2-萘基]乙炔基]苯甲酸
英文別名
CD 3106
AGN 193109
AGN 193109 SodiuM Salt
4-((5,5-Dimethyl-8-p-tolyl-5,6-dihydronaphthalen-2-yl)ethynyl)benzoic acid
4-{[5,5-diMethyl-8-(4-Methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid
4-[2-[5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]benzoic Acid
Benzoic acid, 4-[2-[5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]-

物理化學(xué)性質(zhì)

熔點(diǎn)246-255?C
沸點(diǎn)564.5±50.0 °C(Predicted)
密度1.21±0.1 g/cm3(Predicted)
儲(chǔ)存條件Sealed in dry,Store in freezer, under -20°C
溶解度可溶于氯仿(輕微加熱)、DMSO(輕微超聲處理)
酸度系數(shù)(pKa)4.08±0.10(Predicted)
形態(tài)固體
顏色灰白色至淡黃色
穩(wěn)定性吸濕性

安全數(shù)據(jù)

危險(xiǎn)性符號(hào)(GHS)GHS hazard pictograms
GHS07
警示詞警告
危險(xiǎn)性描述H302-H315-H319-H335
防范說(shuō)明P261-P305+P351+P338

常見(jiàn)問(wèn)題列表

生物活性
AGN 193109 是一種視黃酸類(lèi)似物,是有效的,特異性的視黃酸受體 (RARs) 拮抗劑,可抑制 RARα,RARβ 和 RARγ 的活性,Kd 值分別為 2 nM,2 nM 和 3 nM。
靶點(diǎn)

Kd: 2 nM (RARα), 2 nM (RARβ), 3 nM (RARγ)

體外研究

AGN 193109 is a highly effective antagonist of retinoic acid receptors, with K d s of 2 nM, 2 nM, and 3 nM for RARα, RARβ, and RARγ, respectively. AGN 193109 is completely RAR specific, because it does not bind to or transactivate through any of the RXRs. AGN 193109 (100 nM) inhibits the TTNPB (a retinoic acid receptor agonist)-dependent morphological change in ECE16-1 cells. AGN193109 half-reverses retinoid-dependent growth suppression at 10 nM, and completely shows this effect at 100 nM in ECE16-1 cells. AGN193109 (100 nM) also eliminates TTNPB-induced decrease in levels of K5, K6, K14, K16, and K17 and increase in levels of K7, K8, and K19.

體內(nèi)研究

AGN 193109 (1.15 μmol/kg) does not causes overt toxicity and has no effect on spleen weight on the mice, but it suppresses TTNPB-induced increase in spleen weight of the mice. AGN 193109 also significantly reduces the cutaneous toxicity induced by ATRA. AGN 193109 (0.30 or 1.20 μmol/kg) by topical treatment significantly reduces both weight loss and cutaneous toxicity caused by oral TTNPB cotreatment.

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