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CAS NO.59-43-8
98%(1-25)Kilogram98%(26-500)Kilogram98%(501-1000)Kilogram
| Molecular Formula | C12H17ClN4OS |
| Molar Mass | 300.81 |
| Density | 1.3175 (rough estimate) |
| Melting Point | 248 °C (decomp) |
| Solubility | Slightly soluble in ethanol, insoluble in ether, benzene, chloroform and acetone. |
| Appearance | White to yellow white fine crystal or crystalline powder |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Sensitive | Sensitive to light and humidity |
| Refractive Index | 1.5630 (estimate) |
| MDL | MFCD00012780 |
| Physical and Chemical Properties | Vitamin B1 is white fine crystal or crystal powder, melting point 248 ℃ (decomposition), easily soluble in water, slightly soluble in ethanol, insoluble in ether, benzene hexane, chloroform, soluble in propylene glycol. FIG. 1 shows the structural formula of vitamin B1. |
| Use | Suitable for vitamin B1 deficiency, with the function of maintaining normal glucose metabolism and nerve conduction, also used for auxiliary treatment of dyspepsia, neuritis and so on |
| Introduction | vitamin B1, also known as "thiamine" and "thiamine", is one of the B vitamins. It promotes normal glucose metabolism and is essential for the maintenance of nerve conduction and normal function of the heart and gastrointestinal tract. It combines with adenosine triphosphate to form vitamin B1 pyrophosphate (thiamine diphosphate, or coenzyme), which is a coenzyme necessary for carbohydrate metabolism, the lack of the coenzyme can lead to oxidative metabolism blocked and the formation of pyruvate and lactic acid accumulation, affecting the body's energy supply. Vitamin B1 also inhibits the activity of cholinesterase, when it is deficient; Cholinesterase activity is enhanced, acetylcholine hydrolysis is accelerated, resulting in nerve Impulse conduction disorders, affecting gastrointestinal and myocardial function. |
| Food Source | vitamin B1 is rich in seed skin and embryo, such as rice bran, wheat bran, etc; the content of whole grains was higher than that of refined rice or white flour. Other such as yeast, lean meat, peanuts, soybeans, liver, whole wheat, fresh fruits and vegetables such as cabbage, celery, spinach, bananas, oranges, grapes, traditional Chinese medicine wind, plantain, coix seed are rich in vitamin B1. Now medicinal vitamin B1 for artificial synthesis of thiamine hydrochloride. |
| physiological function and role | vitamin B1 plays a coenzyme role in the process of glucose metabolism, it is a substance necessary for the oxidative decarboxylation of pyruvate. Studies have shown that the level of serum vitamin B1 in patients with type I diabetes is decreased, while the level of serum vitamin B1 in elderly patients with type II diabetes is normal. From the close relationship between vitamin B1 and glucose metabolism, the deficiency of vitamin B1 will first cause the dysfunction of the metabolic organs and tissues, such as the dysfunction of the nervous system and the heart. Vitamin B1 has also been clinically observed to have a certain effect on neuropathy, especially painful neuropathy. vitamin B1 can maintain normal nerve and myocardial function. There is evidence that patients with congestive heart failure often have vitamin B1 deficiency due to the use of diuretics. A small, double-blind study found that giving intravenous vitamin B1 improves heart function in patients with congestive heart failure. Similar results were found in an earlier study without a control group. vitamin B1 may also be supplemented with vitamin B1, which may help drinkers, people with Crohn's disease, people with anorexia or multiple sclerosis, as part of systemic nutritional support. vitamin B1 can also be used as a treatment for epilepsy, ulcer pain and muscle fiber pain, but this also needs to be confirmed by further research. |
| pharmacological action | binding ATP in vivo to form B1 pyrophosphate, it plays an important role in the decarboxylation reaction of α-keto acid in sugar metabolism, making acetone salt into acetate, and forming an important connection between glycolysis and oxidative metabolism through the tricarboxylic acid cycle, promotes carbohydrate metabolism. When the lack of vitamin B1, pyruvate decarboxylation oxidation blocked, resulting in intracellular pyruvate, lactic acid accumulation, so that the small artery dilatation, diastolic blood pressure decreased, myocardial metabolism disorders, severe circulatory disorders and heart failure, edema of the whole body. Glucose metabolism disorders, reduce the body's energy supply, so that normal nerve involvement, paresthesia, vision loss, muscle soreness and other peripheral neuritis symptoms. In addition, vitamin B1 can inhibit the activity of cholinesterase, the lack of cholinesterase activity increased, acetylcholine hydrolysis accelerated, Impulse nerve conduction disorders, affecting the gastrointestinal, myocardial function. Mainly absorbed by the gastrointestinal tract, distributed in the tissue T1/2 for 0.35 hours, metabolism in the liver, renal excretion, normal daily absorption of vitamin B1 5~15mg. |
| Application | vitamin B1 is one of the B vitamins, mainly used for the prevention and treatment of vitamin B1 deficiency and beriberi or Wernickes encephalopathy, also used for peripheral neuritis, myocarditis, dyspepsia, congestive heart failure and other adjuvant therapy; For vitamin B1 supplement: including burns, Fever, long-term chronic infection patients; patients with malabsorption syndrome associated with hepatobiliary disorders (eg, alcoholism with cirrhosis), small bowel disorders (eg, celiac disease, persistent Diarrhea, etc.), gastrectomy, hyperthyroidism, and hemodialysis; long time parenteral nutrition or inadequate intake caused by malnutrition, heavy manual workers and pregnant women, lactating women. |
| deficiency | vitamin B1 deficiency is also called beriberi. In adults are divided into two types, namely wet and dry beriberi, affecting respectively the cardiovascular system and nervous system, may also occur in the same patient, but with a predominance of manifestations; infantile beriberi in addition to the symptoms of the above system can also involve the digestive system, thereby affecting the growth and development of children. |
| side effects | vitamin B1 has low toxicity and rare side effects. Only a few patients had allergic reactions after injection, rash, spasm, itching, wheezing, and even allergic Shock. Long-acting preparations for long-term use of dizziness, Fatigue, anxiety, etc., after stopping can disappear. |
| synthesis method | There are many ways to synthesize vitamin B1, which can be fermented from rice bran or synthesized by chemical synthesis. |
| determination methods | determination methods include fluorescence method, spectrophotometry, chemical method, electrochemical method and thin layer chromatography. |
| precautions | |
| Use | is suitable for vitamin B1 deficiency, with the function of maintaining normal glucose metabolism and nerve conduction, also used for indigestion, neuritis and other adjuvant therapy. |
| production method | the reaction of acetamidine hydrochloride with α-dimethoxyβ-methoxypropionitrile, usually consists of the condensation, hydrolysis, neutralization, oxidation and acidification of thiamine hydrochloride. |
Mol Download Chemical properties
CAS:
59-43-8
MF:
C12H17ClN4OS
MW:
300.81
EINECS:
200-425-3
MDL No.:
MFCD00044586
Melting point:
248 °C (decomp)
Density
1.3175 (rough estimate)
refractive index
1.5630 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
DMSO : 6 mg/mL (19.95 mM)
InChI
InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
InChIKey
MYVIATVLJGTBFV-UHFFFAOYSA-M
SMILES
O([H])CCC1=C(C)[N+](=CS1)CC1C=NC(=NC=1N)C.[Cl-]
LogP
-3.930 (est)