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3-chloro-N-phenylaniline

CAS number:101-17-7    molecular formula:C12H10ClN

overview

compound introduction

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.

Specs

Chinese alias3-氯二苯胺
English alias3-Chlorodiphenylamine
CAS number101-17-7molecular formulaC12H10ClN
molecular weight203.67Exact mass-
PSA12logp4.1

numbering system

CAS101-17-7
UNIINPC5U6JP9A
WikidataQ83007577
PubChem CID7545
Nikkaji NumberJ37.747C
DSSTox Substance IDDTXSID70143615
European Community (EC) Number202-922-0
PubChem Reference Collection SID505496212

physicochemical properties

XLogP3XLogP3-AA: 4.1
复杂性166
Exact Mass203.0501770
形式电荷0
重原子计数14
Molecular Weight203.67
Monoisotopic Mass203.0501770
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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