3-Chlorodiphenylamine 是一种高亲和力的心肌 Ca2+ 增敏剂 (Ca2+ sensitizer)。3-Chlorodiphenylamine 基于二苯胺结构,可与心肌肌钙蛋白 C (cTnC) 的 N 端结构域可以结合 (Kd=6 μM)。3-Chlorodiphenylamine 由于分子体积小,可以作为开发更强 Ca2+ 增敏化合物的极好起始支架,用于收缩性心力衰竭的研究。 3-Chlorodiphenylamine is a high affinity Ca2+ sensitizer of cardiac muscle. 3-Chlorodiphenylamine is based on diphenylamine and binds to the isolated N-domain of cardiac troponin C (cTnC) (Kd=6 μM). 3-Chlorodiphenylamine is an excellent starting scaffold for the development of more potent Ca2+-sensitizing compounds due to its small size, and can be used for systolic heart failure research.
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3-chloro-N-phenylaniline
CAS number:101-17-7 molecular formula:C12H10ClN
overview
compound introduction
Specs
| Chinese alias | 3-氯二苯胺 | ||
| English alias | 3-Chlorodiphenylamine | ||
| CAS number | 101-17-7 | molecular formula | C12H10ClN |
| molecular weight | 203.67 | Exact mass | - |
| PSA | 12 | logp | 4.1 |
numbering system
| CAS | 101-17-7 |
| UNII | NPC5U6JP9A |
| Wikidata | Q83007577 |
| PubChem CID | 7545 |
| Nikkaji Number | J37.747C |
| DSSTox Substance ID | DTXSID70143615 |
| European Community (EC) Number | 202-922-0 |
| PubChem Reference Collection SID | 505496212 |
physicochemical properties
| XLogP3 | XLogP3-AA: 4.1 |
| 复杂性 | 166 |
| Exact Mass | 203.0501770 |
| 形式电荷 | 0 |
| 重原子计数 | 14 |
| Molecular Weight | 203.67 |
| Monoisotopic Mass | 203.0501770 |
| 可旋转键计数 | 2 |
| 氢键供体计数 | 1 |
| 氢键受体计数 | 1 |
| Kovats 保留指数 | 标准非极性:1789.6 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 12 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
危害类别和分类:
眼刺激 2 (100%)
Production methods and uses
purpose
工业应用参考:
工业分类参考:电气机械和器材制造业。
应用场景参考:适用于产品性能验证、质量检测和过程控制等应用环节,可作为检测相关材料或实验耗材使用 。
作用参考:可作为基础工业材料参与合成、提纯或改性过程,为后续产品制造和工艺放大提供支撑 。
选型提示:采购时应优先考虑适配性、可追溯性和持续供货能力,避免只按价格高低判断材料优劣 。
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MSDS
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