马萘雌甾酮结构式
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常用名 | 马萘雌甾酮 | 英文名 | equilenin |
|---|---|---|---|---|
| CAS号 | 517-09-9 | 分子量 | 266.33400 | |
| 密度 | 1.242g/cm3 | 沸点 | 472.6ºC at 760mmHg | |
| 分子式 | C18H18O2 | 熔点 | 258-259° | |
| MSDS | 美版 | 闪点 | 200.9ºC | |
| 符号 |
GHS02, GHS07 |
信号词 | Danger |
马萘雌甾酮用途Equilenin is an equine estrogen found in the urine of pregnant mares. Equilenin is also a naturally fluorescent steroid, has high binding affinity for human sex steroid-binding protein (SBP). At 4 degrees C the equilibrium association constant is approximately 6 X 10(7) M-1. |
| 中文名 | 马萘雌甾酮 |
|---|---|
| 英文名 | (13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one |
| 中文别名 | 雌马甾酮 |
| 英文别名 | 更多 |
| 密度 | 1.242g/cm3 |
|---|---|
| 沸点 | 472.6ºC at 760mmHg |
| 熔点 | 258-259° |
| 分子式 | C18H18O2 |
| 分子量 | 266.33400 |
| 闪点 | 200.9ºC |
| 精确质量 | 266.13100 |
| PSA | 37.30000 |
| LogP | 3.94440 |
| InChIKey | PDRGHUMCVRDZLQ-WMZOPIPTSA-N |
| SMILES | CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O |
| 折射率 | 1.662 |
| 符号 |
GHS02, GHS07 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H225-H302-H312-H319-H332 |
| 警示性声明 | P210-P280-P305 + P351 + P338 |
| 个人防护装备 | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 危害码 (欧洲) | F,Xn |
| 风险声明 (欧洲) | 11-20/21/22-36 |
| 安全声明 (欧洲) | 16-26-36-36/37 |
| 危险品运输编码 | UN 1648 3/PG 2 |
| 马萘雌甾酮上游产品 8 | |
|---|---|
| 马萘雌甾酮下游产品 3 | |
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Development of a liquid chromatography electrospray ionization tandem mass spectrometry method for analysis of stable 4-hydroxyequilenin-DNA adducts in human breast cancer cells.
Chem. Res. Toxicol. 22(6) , 1129-36, (2009) Estrogen-DNA adducts are potential biomarkers for assessing cancer risk and progression in estrogen-dependent cancer. 4-Hydroxyequilenin (4-OHEN), the major catechol metabolite of equine estrogens pre... |
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Activation of estrogen receptor-mediated gene transcription by the equine estrogen metabolite, 4-methoxyequilenin, in human breast cancer cells.
Endocrinology 148(10) , 4793-802, (2007) 4-Methoxyequilenin (4-MeOEN) is an O-methylated metabolite in equine estrogen metabolism. O-methylation of catechol estrogens is considered as a protective mechanism; however, comparison of the proper... |
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Mechanism of translesion synthesis past an equine estrogen-DNA adduct by Y-family DNA polymerases.
J. Mol. Biol. 371(5) , 1151-62, (2007) 4-Hydroxyequilenin (4-OHEN)-dC is a major, potentially mutagenic DNA adduct induced by equine estrogens used for hormone replacement therapy. To study the miscoding property of 4-OHEN-dC and the invol... |
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实验名称:Experimentally measured binding affinity data (Kd) for protein-ligand complexes deriv...
来源:Shanghai Institute of Organic Chemistry
靶标:N/A
External Id:PDBbind-Kd for protein-ligand complexes
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实验名称:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globuli...
来源:ChEMBL
靶标:Sex hormone-binding globulin
External Id:CHEMBL922711
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实验名称:Compound was evaluated for percentage inhibition of Interleukin (IL1-beta) release in...
来源:ChEMBL
靶标:Homo sapiens
External Id:CHEMBL697589
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实验名称:Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of r...
来源:ChEMBL
靶标:3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7
External Id:CHEMBL1106725
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实验名称:Major substrate of human cytosolic sulfotransferase SULT1E1
来源:ChEMBL
靶标:Sulfotransferase 1E1
External Id:CHEMBL1743309
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实验名称:Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of r...
来源:ChEMBL
靶标:3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7
External Id:CHEMBL1106724
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| Equilenin solution |
| EQU |
| Equilenina |
| d-Equilenin |