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133920-06-6

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133920-06-6 Usage

Chemical Properties

Yellowish Oil

Uses

6-Phenylhexyl isothiocyanate is used to inhibit lung tumor multiplicity.

Check Digit Verification of cas no

The CAS Registry Mumber 133920-06-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,3,9,2 and 0 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 133920-06:
(8*1)+(7*3)+(6*3)+(5*9)+(4*2)+(3*0)+(2*0)+(1*6)=106
106 % 10 = 6
So 133920-06-6 is a valid CAS Registry Number.
InChI:InChI=1/C13H17NO/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2

133920-06-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-isothiocyanatohexylbenzene

1.2 Other means of identification

Product number -
Other names 6-Phenylhexyl isothiocyanate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:133920-06-6 SDS

133920-06-6Downstream Products

133920-06-6Relevant articles and documents

Decomposition rates of isothiocyanate conjugates determine their activity as inhibitors of cytochrome P450 enzymes

Conaway,Krzeminski,Amin,Chung

, p. 1170 - 1176 (2001)

Thiol conjugates of isothiocyanates (thiol-ITCs) are metabolites of ITCs formed in the mercapturic acid pathway in mammals. They are effective chemopreventive agents in mouse lung tumor bioassays and in other models. Thiol-ITCs are inhibitors of P450s, but it has not been determined if P450 inhibition is due to conjugates themselves or to parent ITCs released by deconjugation reactions. In studies of mechanism of chemopreventive action of thiol-ITCs, rates of deconjugation of Cys, GSH, and N-acetyl-L-cysteine (NAC) conjugates of benzyl isothiocyanate (BITC), phenethyl isothiocyanate (PEITC), 6-phenylhexyl isothiocyanate (PHI-TC), and sulforaphane (SFN), expressed as the first-order rate constant k1 and the half-life of decomposition Dt1/2, were measured in aqueous solutions at pH 7.4 and 37°. The Dt1/2s for the Cys conjugates were severalfold shorter than the Dt1/2s for respective GSH conjugates, while the Dt1/2s for the NAC conjugates were the longest. Cleavage of thiol conjugates was pH dependent, much slower under acidic conditions than at pH 7.4. Inhibition of P450 enzymes by thiol-ITCs was followed using PROD (pentoxyresorufin O-dealkylation) for P450 2B1 and EROD (ethoxyresorufin O-dealkylation) for P450 1A1. The inhibition of PROD and EROD by aqueous thiol-ITCs increased with preincubation time and was roughly parallel to the extent of decomposition of the conjugate that had occurred, indicating that both potency of the respective parent ITC and the rate of reductive cleavage of the conjugate influenced enzyme inhibition. In the presence of 250-1000 μM GSH, comparable to physiological levels, rates of deconjugation of thiol-ITCs were markedly reduced; inhibition of PROD was also proportionately reduced. Slow rates of decomposition of thiol-ITCs anticipated in plasma and tissues suggests that inhibition of P450 enzymes involved in carcinogen activation by ITCs released from thiol-ITCs may not be a principal mechanism for their tumor inhibitory activity; other mechanisms probably contribute to their chemopreventive activity.

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