An Interesting Field
"Old Yan, if we continue with the dinitration of CO1A, what do you think the next product will be?" Shen Qi asked.
Old Yan said, "Theoretically speaking, the [3.2.1]-double-bridged ring core structure of Benzodiazepine a]za contains two functional groups, an amine and an aryl group, in very close proximity. Therefore, I speculate that under the reaction conditions of electrophilic substitution, the electrophilic attack on the aromatic ring is protected by the carbamate and amino groups, making it difficult for even strong nitrating agents to nitrate the aromatic ring. In other words, the next product is meaningless."
"Let's simulate it." Shen Qi operated the Computer Science and used the Sybyl software to conduct a simulation.
The latest version of SybylPro is Computer Science drug design software that uses an existing database to assist in drug design, chemical combination schemes, and other operations.
The simulated target product is Benzodiazepine derivative, and the best-matching commercial drug in the database is Carbamazepine tablets.
Carbamazepine tablets are mainly used for pain relief, epilepsy, mania, psychosis, diabetes insipidus, and other symptoms. They belong to the class of central nervous system drugs.
Old Yan stared at the computer screen and said, "Is the next step in C01A's development even meaningful? Probably not. Is this thing for treating mental illness?"
"It's pointless to replicate carbamazepine, but it's just an auxiliary software and can't make 100% accurate predictions. I feel that dinitration is a scientifically valuable next step. Let's give it a try. Experiments are all about continuous attempts. Maybe we'll just stumble upon something amazing." Shen Qi insisted on dinitration and began preparing the raw materials.
With the boss so stubborn, Old Yan had no choice but to work with Shen Qi to prepare for the experiment.
Preparations took a full day; the raw materials had to be re-formulated and synthesized.
The experiment began the following day, codenamed C01B.
Shen Qi and Old Yan worked together, and Trifluoroacetamide protection was specially introduced to isolate nitrogen atoms, preventing the formation of disubstituted cationic intermediates by dispersing the Electron Cloud density on nitrogen.
This protection allows the nitration reaction to proceed further. At the same time, Shen Qi added Nitrotrifluoromethanesulfonic acid, a strong nitrifying agent, specifically to overcome the slow nitration of Benzodiazepine derivatives.
Two days had passed by this time. Shen Qi and Old Yan took turns working in the lab, ensuring that at any given moment, at least one person was on duty.
Finally, the dinitro compound was condensed with Glyoxal sodium bisulfite to give quinoxaline, and deprotection yielded the target product.
The target product is a pale blue crystal, crystal clear, beautiful with a touch of magic.
Shen Qi and Old Yan were captivated by its dreamlike appearance; their hard work over the past few days had not been in vain.
"That's the charm of chemistry: a bunch of toxic raw materials can eventually create an incredible and beautiful product." Old Yan was covered from head to toe, with almost no exposed skin on his body.
Fully armed as well, Shen Qi intently observed the target product and said, "Just looking at its appearance, C01B is more than a level above C01A. This thing, even if it's not used for medicine, can fetch a good price as jewelry."
Shen Qi and Old Yan both knew that for chemical products, appearance was important, but efficacy was even more important, which was the intrinsic property of the chemical product.
Using chemical methods such as nuclear magnetic resonance and molecular weight determination, Shen Qi and Old Yan determined the molecular formula, molecular weight, and molecular structure of CO1B.
"So, its name is 4-oxy-5-phenyl-1,3,4,6-tetrahydro-6,10-methylene-2H-1,4- Benzodiazepine. Match it to the database; what is the closest commercially available drug to C01B?"
Sybyl's matching result is: Carbamazepine tablets.
"This shouldn't be happening. Why is it Carbamazepine tablets again? Has the database not been updated?" Old Yan felt that the Computer Science was fooling them.
"Check the latest Organic Chemistry and medicinal chemistry papers," Shen Qi suggested. He needed to know the general pharmacological properties of CO1B; otherwise, conducting animal experiments without a target would be very aimless.
After reviewing a large number of documents and consulting with two senior professors from the Chemistry Department and the School of Medicine, Shen Qi came to a hypothesis that the main function of CO1B should be to regulate the dopamine secretion in the nucleus accumbens region of the mesolimbic dopamine system, which is the basic mechanism of nicotine addiction.
Shen Qi laughed heartily, "Chemistry is an interesting subject. Old Yan, the CO1A you created, after dinitration, yielded CO1B, which theoretically should be a chemical experiment to suppress nicotine cravings. Heaven and earth don't forgive anyone, you chain smoker, you've accidentally stumbled upon a completely new smoking cessation compound!"
"Holy crap?" Old Yan was shocked. What goes around comes around.
Shen Qi's wording was very precise. He kept saying that CO1B was a chemical experimental product that, theoretically, had the effect of quitting smoking, but he did not say that it was a drug.
The CO1B obtained in the initial laboratory testing phase can only be considered a chemical experimental sample. Only after passing various property tests, being verified as safe and effective, and ultimately being commercially produced, can it be called a chemical commodity.
Drugs and chemical products with clearly marked prices on the market are all chemical commodities. Commodities mean that they have gained widespread recognition and people are willing to pay for them.
Developing a completely new, non-generic commercial drug requires a great deal of effort from many scientists, involving extensive experimental research and process verification before it can be marketed and benefit humanity.
Of the three guns, one was mainly responsible for raising and dissecting animals. The only people truly engaged in innovative research were Shen Qi and Old Yan.
Shen Qi said, "I think this C01B has commercial potential. As far as I know, there aren't many genuine smoking cessation drugs on the market. The smoking cessation rate of NRT-like smoking cessation gum is only 20%. Nicotine acetylcholine receptor agonist smoking cessation drugs have a higher success rate, but smokers who use these drugs may quit smoking, but they also develop a certain degree of addiction and dependence on the smoking cessation drugs."
"Quitting smoking is very difficult. What wouldn't someone who can be so determined to quit smoking do?" The Old Yan shared his experience, unconsciously reaching for a cigarette.
"Feeling the urge to smoke again?" Shen Qi chuckled.
"I'm going out for a smoke, I'm going out for a smoke." Old Yan's habitual action was to reach for his cigarette pack, but the cigarettes weren't on him; they were locked in a locker outside the lab.
Shen Qi and Old Yan came to the outside of the laboratory and took off their masks and protective goggles.
Old Yan noticed Shen Qi watching him with a mysterious smile. He shuddered, feeling a chill and fear. "Boss, I can't quit smoking. Don't use me for human experiments!"
Shen Qi patted Old Yan on the shoulder. "Developing a completely new commercial drug is an extremely arduous and lengthy process. Without fully utilizing external resources, you, me, and Old Tu alone cannot produce a commercial smoking cessation drug. As for clinical trials, how could I possibly use you as a test subject? The last people I want to mess with are chemists. If I use you as a test subject today, you might poison me to death tomorrow."
"Chemists also have to abide by the law, right?" Old Yan said, then asked, "What's the next step?"
Shen Qi said, "There are over a billion smokers worldwide, and more than half of them want to quit. I'm assigning you to follow up on the C01B project. Do some more in-depth research, collect more data, and then start animal experiments."
"Then you'll have to hire a few assistants for me. Even in the initial testing phase of the lab, I'm stretched thin by myself, and you're very busy; you can't be in the lab all day," Old Yan requested.
"You need to publish a few articles first. Without research results, why should I ask you to hire someone?" Shen Qi said, then asked with concern, "How are things going between you and Xiao Lian?"
Old Yan stated bluntly. "If you don't give me more lab technicians, I'll be stuck in the lab all day. How will I have time to chase girls?"
"Hey, you've already got a girlfriend, not bad, Old Yan. Keep it up. The lab technician won't be here anytime soon, you'll have to hold down the fort for now. Experiments during the day, chasing girls at night, that's a good pace."
Shen Qi and Old Yan went up to the third floor. Shen Qi pointed to an empty small room and said, "From today onwards, this is the smoking room. Go and buy a cigarette butt recycling machine with ventilation, like the kind in airport smoking rooms. After you buy it, ask the finance department for reimbursement. But I still hope you can quit smoking."
"Good, good, good, understanding is everything." Old Yan was overjoyed. He found a paper cup, filled it with water, and squatted down in the empty house to smoke.
Shen Qi went to the coffee shop and sat down to drink coffee.
The coffee shop wasn't crowded, which showed that the center's staff were very busy.
Shen Qi saw Witten, Zhou Yu'an, and Xiao Junlong sitting together at a table, chatting happily.
Picking up his coffee cup, Shen Qi walked to the table where the three of them were sitting down. "It seems the NS Equation project has made significant progress?"
"It can't be that fast." Zhou Yu'an shook her head.
"Then why are you laughing so happily?" Shen Qi asked.