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雄甾-1,4,6-三烯-3,17-二酮

用于蛋白质组学研究的类固醇
  • CAS编号: 633-35-2
  • 分子式: C19H22O2
  • 分子量: 282.38
  • PubChem编号: 104880
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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
A336525-25mg
25mg 期货 Stock Image

基本描述

英文别名 A146-T317D | Q4545687 | AKOS030240786 | 1,4,6-Androstatriene-3,17-dione | DTXSID60862328 | HY-136092 | 1,4,6-Etioallochan-dione | SCHEMBL132874 | BDBM50421878 | Androsta-1,4,6-triene-3,17-dione | (8R,9S,10R,13S,14S)-10,13-dimethyl-9,11,12,14,15,16-hexahyd
英文名称 Androsta-1,4,6-triene-3,17-dione
储存温度 -20°C储存
运输条件 超低温冰袋运输
产品介绍

雄甾-1,4,6 - 三烯-3,17 - 二酮是用于蛋白质组学研究的类固醇。

Androsta-1,4,6-triene-3,17-dione is a steroid for proteomics research.

关联靶点(人)

CYP19A1 Tclin 芳香化酶(Aromatase) (2 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CYP19A1 Tclin Cytochrome P450 19A1 (6099 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IIUPAC Name (8R,9S,10R,13S,14S)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione
INCHI 1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChi Key DKVSUQWCZQBWCP-QAGGRKNESA-N
Smiles CC12CCC3C(C1CCC2=O)C=CC4=CC(=O)C=CC34C
Isomeric SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=CC(=O)C=C[C@]34C
分子量 282.38
Reaxy-Rn 2060427
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2060427&ln=

化学和物理性质

溶解性 Soluble in Carbon Tetrachloride and Chloroform
熔点 153-156° C
分子量 282.400 g/mol
XLogP3 3.000
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 2
可旋转键计数Rotatable Bond Count 0
精确质量Exact Mass 282.162 Da
单同位素质量Monoisotopic Mass 282.162 Da
拓扑极表面积Topological Polar Surface Area 34.100 Ų
重原子数Heavy Atom Count 21
形式电荷Formal Charge 0
复杂度Complexity 623.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 5
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

预防措施声明

P264: 处理后要彻底洗手。

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

此产品的引用文献

引用文献

1. Fan He, Tingting Zou, Jinyi Yang, Hong Wang, Lihua Deng, Yuanxin Tian, Zhenlin Xu, Yuanming Sun, Hongtao Lei, Xuecai Tan, Yudong Shen.  (2019)  Development of a skeleton-specific antibody and Au nanoparticle-based immunochromatographic sensor for simultaneous detection of various tadalafil adulterants in health food.  FOOD AND AGRICULTURAL IMMUNOLOGY,  [10.1080/09540105.2019.1585417]
2. Xinqi Xu, Jinchang Zhong, Bingmei Su, Lian Xu, Xiaokun Hong, Juan Lin.  (2024)  Single-cell enzymatic cascade synthesis of testolactone enabled by engineering of polycyclic ketone monooxygenase and multi-gene expression fine-tuning.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,  275  (133229).  [PMID:38897507] [10.1016/j.ijbiomac.2024.133229]

溶液计算器