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Vitamin B1

Names

[ CAS No. ]:
59-43-8

[ Name ]:
Vitamin B1

[Synonym ]:
3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
Vitamin B1
thiamine hydrochloride
MFCD00044586
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride
Aneurin
thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol,chloride
Thiamine chloride
5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydro-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium chloride
EINECS 200-425-3
Thiaminium chloride
Thiazolium, 3-[(1,6-dihydro-6-imino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride (1:1)
Thiamine
Thiamine monochloride

Biological Activity

[Description]:

Thiamine monochloride (Vitamin B1) is an essential vitamin that plays an important role in cellular production of energy from ingested food and enhances normal neuronal actives.

[Related Catalog]:

Signaling Pathways >> Others >> Others
Research Areas >> Metabolic Disease
Research Areas >> Neurological Disease

[Target]

Vitamin[1]


[In Vitro]

Thiamine levels in the blood of homozygous KO and KI mice feed a conventional diet are decreased to 0.058±0.051 and 0.126±0.092 μM, respectively, at 7 weeks compared to WT mice (0.796±0.259 μM). When WT and homozygous KO and KI mice are fed a thiamine-restricted diet (thiamine: 0.60 mg/100 g food), blood thiamine concentration at 5 and 14 days is markedly decreased to 0.010±0.009 and 0.010±0.006 μM, respectively, compared to WT mice (0.609±0.288 μM). Thiamine concentration in brain homogenate of WT mice fed a conventional diet is 3.81±2.18 nmol/g wet weight, and that of KO and KI is 1.33±0.96 and 2.16±1.55 nmol/g wet weight, respectively. Notably, thiamine concentration in brain homogenate decreased steadily in KO and KI mice fed a thiamine-restricted diet (thiamine: 0.60 mg/100 g food) for 5 days (0.95±0.72 nmol/g wet weight) and 14 days (1.11±0.24 nmol/g wet weight), respectively, compared to WT (3.65±1.02 nmol/g wet weight), before the mice presented an phenotype of disease[2].

[In Vivo]

WT, homozygous, and heterozygous KO and KI mice feed a conventional diet (thiamine: 1.71 mg/100 g) survive for over 6 months without any phenotype of disease. Homozygous KO and KI mice feed a thiamine-restricted diet (thiamine: 0.60 mg/100 g food) showe paralysis, weight loss, and immobility, and die within 12 and 30 days, respectively. Similarly, homozygous KO and KI mice feed a thiamine-restricted diet with an even lower percentage of thiamine (thiamine: 0.27 mg/100 g food) die within 14 and 18 days, respectively. However, WT and heterozygous KO and KI mice feed a thiamine-restricted diet (thiamine: 0.60 mg or 0.27 mg/100g food) survive for over 6 months without any phenotype of disease[2].

[Animal admin]

Slc19a3 E314Q KI mice are maintained routinely with conventional diet, which has a thiamine concentration (thiamine hydrochloride, MW=337.3) of 1.71 mg/100 g food. two types of thiamine-restricted food based on “purified diets for laboratory rodents” are prepared, in which thiamine concentration is 0.60 mg/100 g food (35% thiamine of conventional food) or 0.27 mg/100 g food (16% thiamine of conventional food). A high-thiamine-containing food is also prepared from AIN-93M, in which thiamine concentration is five times that of CE-2 (thiamine: 8.50 mg/100 g food). Thiamine concentration is determined at Japan Food Research Laboratories[2].

[References]

[1]. Kenneth Osiezagha, et al.Thiamine Deficiency and Delirium. Innov Clin Neurosci. 2013 Apr; 10(4): 26-32.

[2]. Kaoru Suzuki, et al. High-dose thiamine prevents brain lesions and prolongs survival ofSlc19a3-deficient mice. PLoS One. 2017; 12(6): e0180279.


[Related Small Molecules]

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Chemical & Physical Properties

[ Density]:
6 g/cm3

[ Melting Point ]:
125 °C

[ Molecular Formula ]:
C12H17ClN4OS

[ Molecular Weight ]:
300.808

[ Exact Mass ]:
300.081146

[ PSA ]:
104.15000

[ LogP ]:
1.99090

[ Water Solubility ]:
soluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI6550000
CHEMICAL NAME :
Thiamine, chloride
CAS REGISTRY NUMBER :
59-43-8
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C12-H17-N4-O-S.Cl
MOLECULAR WEIGHT :
300.84
WISWESSER LINE NOTATION :
T6N CNJ B1 DZ E1- AT5K CSJ D2Q E1 &Q &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Multiple routes
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
214 mg/kg/30W-I
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 30,407,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
301 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,444,1957 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
20 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 8,175,1961 *** REVIEWS *** TOXICOLOGY REVIEW IRXPAT International Review of Experimental Pathology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1962- Volume(issue)/page/year: 3,219,1964 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 2,365,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82022 No. of Facilities: 1673 (estimated) No. of Industries: 7 No. of Occupations: 9 No. of Employees: 5002 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82022 No. of Facilities: 813 (estimated) No. of Industries: 6 No. of Occupations: 20 No. of Employees: 18939 (estimated) No. of Female Employees: 9502 (estimated)

Safety Information

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S26-S36/37/39-S22

[ HS Code ]:
3004500000

Synthetic Route

Precursor & DownStream

Customs

[ HS Code ]: 3004500000


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