[airline pilot]

Ladies and Gentlemen

It has been many years since my undergraduate education and my organic chemistry is somewhat rusty.

The other evening, during the termination of my flight, I discovered that we had approximately 20 of these barrels in our cargo hold, and my interest was peaked!  The transportation of chemicals classified by IATA (International Aviation Transport Association) as "dangerous goods" is severely restricted for very good obvious safety reasons.

My question to the ladies and gentlemen of this forum is the following:  What exactly is 8-chloro-2-(2-isopropylaminothiazol-4-yl)-7-(2-morpholin-4-yl-ethoxy)quinolin-4-ol?  I have attached a picture of the packaging label for your interest.

Can some one provide me with a common name for this chemical, and more importantly some of its physical properties?  Is there a MSDS (material safety data sheet) available for this mystery chemical?

In short I would like to determine if this product exhibits characteristics that might prohibit it from being transported by aircraft?  The point of origin makes me wonder if the containers we carried on board our aircraft the other evening were perhaps inappropriately labled, and should actually have been classified as a "dangerous good" not permissible for transport by air?

Thank you in advance for your help,

Airline Pilot

[Dan]

Hmmm. I think the structure is as attached. Had a quick poke in the usual places, can't seem to find anything about it.

[discodermolide]

Here is the structure.
It looks as if it a starting material for a pharmaceutical.
Anyway transport by air requires lots of documentation, including a MSDS, contact your cargo people perhaps?

[OC pro]

Additionally, nothing you have to worry about. Means, no explosive or anything like that.

[fledarmus]

I doubt you'll find a common name for that chemical. It appears to be an intermediate for the synthesis of a new NS3 protease inhibitor for treating Hepatitis C viral infections. Gilead Sciences uses this intermediate in a recent patent application for those compounds, and has examples in clinical trials (GS-9256).

Not an explosive, not a chemical weapon, and I doubt that it has any safety issues. On the other hand, the only MSDS would probably be the one given by the manufacturer to the client that ordered it and to the shipping company.

[orgopete]

20 x 20 Kg! Wow. By virtue of 400 Kg, it will be toxic. Probably not as toxic as jet fuel, but I wouldn't recommend ingesting it either.

If this is an intermediate, what is the final active ingredient? This looks pretty advanced and expensive (400 Kg). It looks like the synthesis could have been completed in China, but probably some legal limit on importing a drug (just guessing).

[Arkcon]

Most carbon rich compounds are flammable.  If you have a fiber drum full, you have some risk.  Also, depending on how the powder is formed, it may explode on ignition.  Even flour is dangerous in that regard.  The manufacturer should produce an MSDS for a compound and produce it on your request.  If this is an uncommon chemical intermediate, its entirely possible for that MSDS to be several pages where all values are UNKNOWN.

[Honclbrif]

Another vote for a pharmaceutical or pharmaceutical intermediate of some sort. Must be pretty important if they're flying that much around.

Does not look particularly reactive, corrosive, or explosive. Probably not very dangerous unless you opened up the packages and started eating it.

[billnotgatez]

Is it sort of like, transporting aspirin or the precursor Salicylic acid

[fledarmus]

If this is an intermediate, what is the final active ingredient? This looks pretty advanced and expensive (400 Kg). It looks like the synthesis could have been completed in China, but probably some legal limit on importing a drug (just guessing).

If this is one of the Gilead Sciences Hepatitis C antiviral intermediates from their patent (PCT Int. Appl., 2009005676, 08 Jan 2009), the other half of the compound is a rather unusual small peptide. I suspect that the two halves of the molecule are synthesized separately, one by a heterocyclic synthesis outfit and the other by a peptide synthesis outfit, and they are combined at a third facility specializing in final drug synthesis, purification and formulation. It isn't unusual to contract out synthesis of pharmaceutical intermediates, especially on very large scales. At least one step in the synthesis of the intermediate was reported to be only 14% yield; that means that if they weren't able to optimize the synthesis during scaleup, they would have needed at least 2800 kg of material to produce that 400 kg of intermediate. A facility that could handle 400 kg of starting material at a stretch to produce a very clean pharmaceutical might very well not be able to handle the 2800 kg of material needed to produce the 400 kg of intermediate.

[DrCMS]

20 x 20 Kg! Wow. By virtue of 400 Kg, it will be toxic.

Sure that's how toxicity is measured by weight.

[discodermolide]

20 x 20 Kg! Wow. By virtue of 400 Kg, it will be toxic.

Sure that's how toxicity is measured by weight.

I am not sure you can define a compounds toxicity by weight. It depends on it's efficacy and potency. An API, in this case, is not liable to be toxic. Unfortunately we won't get to see the data.

[Arkcon]

20 x 20 Kg! Wow. By virtue of 400 Kg, it will be toxic.

Sure that's how toxicity is measured by weight.

I am not sure you can define a compounds toxicity by weight. It depends on it's efficacy and potency. An API, in this case, is not liable to be toxic. Unfortunately we won't get to see the data.

Well, anything heavy will kill you if it falls on you.  But we don't label things toxic by that criteria.   I also wouldn't rule out toxicity of this chemical.  From what I've read on this thread, this reagent is meant to chemically modify a peptide, not to be ingested itself.  Furthermore, plenty of medicines are delivered in very small quantities, or delivered by targeted means.  Scoffing a handful of API is never advised.

[discodermolide]

20 x 20 Kg! Wow. By virtue of 400 Kg, it will be toxic.

Sure that's how toxicity is measured by weight.

I am not sure you can define a compounds toxicity by weight. It depends on it's efficacy and potency. An API, in this case, is not liable to be toxic. Unfortunately we won't get to see the data.

Well, anything heavy will kill you if it falls on you.  But we don't label things toxic by that criteria.   I also wouldn't rule out toxicity of this chemical.  From what I've read on this thread, this reagent is meant to chemically modify a peptide, not to be ingested itself.  Furthermore, plenty of medicines are delivered in very small quantities, or delivered by targeted means.  Scoffing a handful of API is never advised.

I assumed the drums would not fall on anyone's head!
If this product is going into production I would assume that the usual test have been done concerning toxicity ecotox, etc.etc.etc. As well as the chemical safety tests. I have cupboards of such reports, all toxic because they are so full if you open them they will fall on your head.

[DrCMS]

20 x 20 Kg! Wow. By virtue of 400 Kg, it will be toxic.

Sure that's how toxicity is measured by weight.

I thought it was obvious that I was being sarcastic,  clearly it was not.