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Chemical Abstracts Service’s 70 Millionth Substance

Pearson in the lab. Credit: Courtesy of Tom Pearson.

Pearson in the lab. Credit: Courtesy of Tom Pearson.

Back in September, I posted here on Newscripts about a contest being hosted by Chemical Abstracts Service, a division of the American Chemical Society that collects and organizes publicly disclosed information about chemical compounds.

CAS asked participants to guess when the 70 millionth substance would be added to its database. The person who submitted the answer (date and time) closest to reality would take home an e-book reader.

Well, I’m a bit behind in reporting the outcome. But better late than never, right?

The 70 millionth compound was added to CAS’s Registry on Dec. 6, 2012. The winner? Lucky grad student Tom Pearson of Nottingham Trent University, in England. An organic chemist, Pearson is developing new ways of sticking sugar units together with an eye toward drug synthesis. And he received a Kindle Fire for his correct prediction.

Pearson doesn’t normally enter contests, so this is the first time he’s won anything, he tells me. “I had 10 minutes free in my day and thought I’d enter,” he says of the contest.

But Pearson’s win wasn’t complete luck. Like every true science nerd, he used some math and logic to arrive at his winning entry: “I basically just stared at the counter for a couple of minutes and tried to work out the average rate at which substances were being added. After working out the rate, I then determined the date that the 70 millionth substance would be added.”

 

70 millionth substance: N-[[5-(2-methylpropyl)-1-phenyl-1H-pyrazol-3-yl]methyl]- 4-[3-(trifluoromethyl)benzoyl]- 1-piperazineacetamide.

70 millionth substance: N-[[5-(2-methylpropyl)-1-phenyl-1H-pyrazol-3-yl]methyl]- 4-[3-(trifluoromethyl)benzoyl]-
1-piperazineacetamide.

CAS added the 50 millionth substance to its registry back on Sept. 7, 2009. On the basis of these dates, and doing a little math of my own, I estimate that CAS adds about 16,900 new chemical substances to its database per day. That’s about 1 new compound every 5 seconds. Yowza!!

The 70 millionth substance, given CAS Registry number 1411769-41-9, is a pyrazolyl piperazine disclosed in a patent filed with the Korean Intellectual Property Office. It’s a calcium-ion channel blocker with potential applications in treating pain, as well as conditions such as dementia.

 

A few fun facts from CAS about its registry:

In 2012, 63% of patents covered by CAS originated in Asia.

More than 70% of new substances added to the registry from the literature come from patents.

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