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101-17-7

101-17-7 structure
101-17-7 structure
  • Name: 3-Chlorodiphenylamine
  • Chemical Name: 3-chloro-N-phenylaniline
  • CAS Number: 101-17-7
  • Molecular Formula: C12H10ClN
  • Molecular Weight: 203.667
  • Catalog: Pharmaceutical intermediate Diphenylamine intermediate
  • Create Date: 2018-04-08 08:00:00
  • Modify Date: 2025-08-21 01:45:47
  • 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].
Name 3-chloro-N-phenylaniline
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
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].
Related Catalog
Target

Kd: 6 µM (N-domain of cardiac troponin C (cTnC)) Kd: 10 µM (cNTnC–cSp chimera)[1]

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].
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.
Density 1.2±0.1 g/cm3
Boiling Point 337.8±0.0 °C at 760 mmHg
Melting Point 112 °C
Molecular Formula C12H10ClN
Molecular Weight 203.667
Flash Point 147.4±23.2 °C
Exact Mass 203.050171
PSA 12.03000
LogP 3.86
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.643
Hazard Codes Xn
Risk Phrases R20/21/22
Safety Phrases S28-S36/37
HS Code 2921440000
HS Code 2921440000
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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title: CAS No. 101-17-7 | Chemsrc address: https://m.chemsrc.com/en/baike/583705.html

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