Introduction：Basic information about CAS 101-17-7|3-Chlorodiphenylamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Chlorodiphenylamine |
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| CAS Number | 101-17-7 | Molecular Weight | 203.667 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 337.8±0.0 °C at 760 mmHg |
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| Molecular Formula | C12H10ClN | Melting Point | 112 °C |
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| MSDS | / | Flash Point | 147.4±23.2 °C |
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Names
| Name | 3-chloro-N-phenylaniline |
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| Synonym | More Synonyms |
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3-Chlorodiphenylamine BiologicalActivity
| Description | 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[1]. |
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| Related Catalog | Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Membrane Transporter/Ion Channel >>Potassium Channel |
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| Target | Kd: 6 µM (N-domain of cardiac troponin C (cTnC)) Kd: 10 µM (cNTnC–cSp chimera)[1] |
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| In Vitro | 3-Chlorodiphenylamine is able to bind highly (Kd=10 µM) to a chimeric protein consisting of the regulatory N-domain of cTnC (cNTnC) and the switch region of cTnI (cNTnC–cSp chimera)[1]. 3-Chlorodiphenylamine (100 µM) results in a 1.5-fold increase in the Ca2+ sensitivity of force development without altering the maximal or resting forces in skinned ventricular trabeculae[1]. 3-Chlorodiphenylamine (25-100 µM) increases Ca2+ sensitivity of the N-domain of intact cTnC after reconstitution into the cTn complex (cTnC complexed with cTnI and cTnT) in a concentration-dependent manner. It exhibits pCa50s with 6.39±0.01, 6.65±0.01, and 6.73±0.02 in the presence of 25, 50, and 100 µM 3-Chlorodiphenylamine, respectively[1]. |
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| References | [1]. Svetlana B Tikunova, et al. 3-Chlorodiphenylamine activates cardiac troponin by a mechanism distinct from bepridil or TFP. J Gen Physiol. 2019 Jan 7;151(1):9-17. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 337.8±0.0 °C at 760 mmHg |
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| Melting Point | 112 °C |
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| Molecular Formula | C12H10ClN |
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| Molecular Weight | 203.667 |
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| Flash Point | 147.4±23.2 °C |
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| Exact Mass | 203.050171 |
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| PSA | 12.03000 |
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| LogP | 3.86 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.643 |
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| InChIKey | OHHIBZKYXJDQEU-UHFFFAOYSA-N |
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| SMILES | Clc1cccc(Nc2ccccc2)c1 |
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S28-S36/37 |
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| HS Code | 2921440000 |
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Customs
| HS Code | 2921440000 |
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| Summary | 2921440000. diphenylamine and its derivatives; salts thereof. VAT:17.0%. Tax rebate rate:17.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| Benzenamine, 3-chloro-N-phenyl- |
| (3-Chlor-phenyl)-phenyl-amin |
| EINECS 202-922-0 |
| 3-chloro-N-phenyl-aniline |
| 3-Chloro-N-phenyl-benzenamine |
| N-(3-Chlorophenyl)aniline |
| MFCD00000590 |
| N-(m-Chlorophenyl)aniline |
| (3-chlorophenyl)phenylamine |
| (3-Cl-C6H4)PhNH |
| m-Chlorodiphenylamine |
| 3-Chloro-N-phenylaniline |
| 3-Chlorodiphenylamine |
| Benzenamine,3-chloro-N-phenyl |
| N-(3-chlorophenyl)-N-phenylamine |
