3-CHLORODIPHENYLAMINE

Name	3-Chlorodiphenylamine
Synonyms	3-CHLORODIPHENYLAMINE 3-Chlorodiphenylamine 3-Chlorodiphenyl ether 3-chloro-N-phenylaniline Diphenylamine, 3-chloro- 3-Chloro-N-phenylaniline n-(3-chlorophenyl)aniline 3-Chloro-N-phenyl-benzenamine Benzenamine, 3-chloro-N-phenyl- N-(3-Chlorophenyl)-N-phenylamine
CAS	101-17-7
EINECS	202-922-0
InChI	InChI=1/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H

Molecular Formula	C12H10ClN
Molar Mass	203.67
Density	1,21 g/cm3
Melting Point	112 °C(Solv: methanol (67-56-1))
Boling Point	340 °C
Flash Point	147.4°C
Solubility	Chloroform (Slightly), Methanol (Slightly)
Vapor Presure	0.000102mmHg at 25°C
Appearance	Oil
Color	Pale Yellow to Yellow
pKa	-0.20±0.30(Predicted)
Storage Condition	2-8°C
Refractive Index	1.6513 (estimate)
Physical and Chemical Properties	Liquid. Boiling point 335-336 ℃(96.3kPa), relative density 1.200, refractive index 1.6513. Soluble in ethanol, benzene, acetic acid and ether.
In vitro study	3-Chlorodiphenylamine is able to bind highly ( K d =10 µM ) to a chimeric protein consisting of the regulatory N-domain of cTnC (cNTnC) and the switch region of cTnI ( cNTnC–cSp chimera ).3-Chlorodiphenylamine (100 µM) results in a 1.5-fold increase in the Ca 2+ sensitivity of force development without altering the maximal or resting forces in skinned ventricular trabeculae.3-Chlorodiphenylamine (25-100 µM) increases Ca 2+ 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 pCa 50 s 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.

Risk Codes	20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37 - Wear suitable protective clothing and gloves.

Biological activity	3-Chlorodiphenylamine is a high-affinity myocardial Ca2 + sensitizer (Ca2 + sensitizer). 3-Chlorodiphenylamine is based on the diphenylamine structure and can bind to the N-terminal domain of cardiac troponin C (cTnC) (Kd = 6 µM). Due to its small molecular size, 3-Chlorodiphenylamine can be used as an excellent starting scaffold for the development of stronger Ca2 + sensitizing compounds for the study of systolic heart failure.
target	Kd: 6 µM (N-domain of cardiac troponin C (cTnC))Kd: 10 µM (cNTnC-cSp chimera)
use	m-chlorodiphenylamine is an organic intermediate of diphenylamine used to produce chlorpromazine.
Production method	It is obtained by condensation of o-chlorobenzoic acid and m-chloroaniline, and then decarboxylation of iron powder.

Last Update：2024-04-10 22:29:15

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3-CHLORODIPHENYLAMINE

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