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881639-98-1

中文名稱 881639-98-1
英文名稱 (±)-1-[(3aR*,4S*,9bS*)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-ethanone
CAS 881639-98-1
分子式 C21H18BrNO3
分子量 412.28
MOL 文件 881639-98-1.mol
更新日期 2026/06/09 18:09:49
881639-98-1 結構式 881639-98-1 結構式

基本信息

中文別名
化合物G-1
英文別名
G-06710-1
1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)ethanone
(±)-1-[(3aR*,4S*,9bS*)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-ethanone
Ethanone, 1-[(3aR,4S,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-, rel-

物理化學性質

沸點529.6±50.0 °C(Predicted)
密度1.457±0.06 g/cm3(Predicted)
儲存條件-20°C儲存
溶解度≥41.2 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
酸度系數(pKa)1.20±0.40(Predicted)
形態(tài)結晶固體
顏色White to off-white
InChIInChI=1/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/s3
InChIKeyVHSVKVWHYFBIFJ-SICARIQLNA-N
SMILESC(=O)(C1C=CC2=C(C=1)[C@@]1([H])C=CC[C@@]1([H])[C@@H](C1=C(Br)C=C3OCOC3=C1)N2)C |&1:8,13,15,r|

安全數據

危險性符號(GHS)有害 (GHS07)健康危害 (GHS08)環(huán)境危害 (GHS09)
GHS07,GHS08,GHS09
警示詞危險
危險性描述H302-H400-H372
881639-98-1價格(試劑級)
報價日期產品編號產品名稱CAS號包裝價格
2026/06/05HY-107216881639-98-1
G-1
881639-98-11 mg550元
2026/06/05HY-107216881639-98-1
G-1
881639-98-15 mg940元
2026/06/05HY-107216881639-98-1
G-1
881639-98-110 mM * 1 mL in DMSO1034元

常見問題列表

生物活性
G-1 是一種 G protein-coupled receptor 30 (GPR30, G protein-coupled estrogen receptor 1, GPER) 的非甾體選擇性激動劑,Ki值為11 nM。
靶點
TargetValue
GPR30
(Cell-free assay)
11 nM(Ki)
體外研究

G-1 is a nonsteroidal, high-affinity and selective agonist of GPR30 with a K i of 11 nM. Treatment with G-1 (10 μM and 100 μM) for 48 and 72 h significantly decreases cell proliferation (P<0.001). At 72 h, the IC 50 value for G-1 is calculated to be 20 μM. Treatment of A549 cells with G-1 at a concentration of 20 μM reveals a significant increase in apoptosis, consistent with its antiproliferative effect (P<0.001). Cell cycle analysis of H295R cells after 24 h of G-1 treatment demonstrates a cell cycle arrest in the G 2 phase. The presence of G-1 increases Bax expression while decreases Bcl-2.

體內研究

The results at 14 days post-injury show that the Basso mouse scale (BMS) scores are significantly higher in the G-1 group compared with the other groups (P<0.05). The number of caspase-3-positive cells in the cross sections is counted, and G-1 group has fewer positive cells compare with the other groups (P<0.05), and there is no difference between the two groups (P>0.05). G-1 administration produces a statistically significant decrease in tumor volume from day 14 post treatment. Grafted tumors harvested after three-week treatment with G-1 show a significant decrease in tumor weight compare to vehicle treated animals.

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