Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H34O4S.C16H33O4S.C12H17N4OS |
| Molecular Weight | 909.354 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N.CCCCCCCCCCCCCCCCOS(O)(=O)=O.CCCCCCCCCCCCCCCCOS([O-])(=O)=O
InChI
InChIKey=HVIVKYLMXRWCDK-UHFFFAOYSA-M
InChI=1S/2C16H34O4S.C12H17N4OS/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h2*2-16H2,1H3,(H,17,18,19);5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q;;+1/p-1
| Molecular Formula | C16H34O4S |
| Molecular Weight | 322.504 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H16N4OS |
| Molecular Weight | 264.347 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Thiamine, also known as vitamin B1, plays a key role in the human metabolism. It is present in many dietary sources such as meats, eggs, fish, beans and peas, nuts, and whole grains. Upon administration thiamine is converted by thiamine
pyrophosphokinase-1 (TPK1) to the active form, thiamine pyrophosphate, which serves as a cofactor for enzymes involved in the TCA cycle and the non-oxidative part of the pentose phosphate pathway. The lack of thiamine may cause the thiamine deficiency. The classical syndrome caused primarily by thiamine deficiency in humans is beriberi, however, symptoms of thiamine deficiency also include congestive heart failure, metabolic acidosis, confusion, ataxia and seizures. Thiamine is a component of many vitamin complexes, which are approved for the treatmen and prevention of general vitamin deficiency, including the thiamine deficiency.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: Q9H3S4 Gene ID: 27010.0 Gene Symbol: TPK1 Target Organism: Homo sapiens (Human) |
|||
Target ID: GO:0005975 |
|||
Target ID: WP408 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Preventing | M.V.I.-12 Approved UseM.V.I.-12 Unit Vial, is indicated for the prevention of vitamin deficiency in adults and children aged 11 years and above who are on warfarin anticoagulant therapy receiving home parenteral nutrition. Launch Date-5.32137607E11 |
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
386 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
40 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
95 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
39 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
397 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
113 nM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
2046 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
214 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
623 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
177 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
2059 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
612 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
4.78 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE blood | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
2.97 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
3.92 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22305197/ |
500 mg single, oral dose: 500 mg route of administration: Oral experiment type: SINGLE co-administered: |
THIAMINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Juvenile polyneuropathy due to vitamin B1 deficiency-clinical observations and pathogenetic analysis of 24 cases. | 1976 |
|
| Lipophilic thiamine treatment in long-standing insulin-dependent diabetes mellitus. | 1999 Jun |
|
| Effect of thiamine hydrochloride on lead induced lipid peroxidation in rat liver and kidney. | 2000 Aug |
|
| Mitochondrial myopathy and familial thiamine deficiency. | 2000 Jul |
|
| Low plasma thiamine levels in elder patients admitted through the emergency department. | 2000 Oct |
|
| Thiamine for Alzheimer's disease. | 2001 |
|
| [Evaluation of vitamin and immune status of patients with chronic palatal tonsillitis]. | 2001 |
|
| Effects of vitamins on hepatic nuclear binding of L-tryptophan. | 2001 |
|
| Biosynthesis of menaquinone (vitamin K2) and ubiquinone (coenzyme Q): a perspective on enzymatic mechanisms. | 2001 |
|
| Severe metabolic acidosis and heart failure due to thiamine deficiency. | 2001 Apr |
|
| Conditioned nutritional deficiencies in the cardiomyopathic hamster heart. | 2001 Apr |
|
| Nutritional evaluation of ethanol-extracted lentil flours. | 2001 Apr |
|
| Wernicke's encephalopathy following gastroplasty for morbid obesity. | 2001 Feb |
|
| Lactic acidosis update for critical care clinicians. | 2001 Feb |
|
| Neurotoxicity and neurocognitive impairments with alcohol and drug-use disorders: potential roles in addiction and recovery. | 2001 Feb |
|
| In vivo and in vitro proton NMR spectroscopic studies of thiamine-deficient rat brains. | 2001 Feb |
|
| Chorea induced by thiamine deficiency in hemodialysis patients. | 2001 Feb |
|
| Reaction mechanism for mammalian pyruvate dehydrogenase using natural lipoyl domain substrates. | 2001 Feb 15 |
|
| Certification of B-group vitamins (B1, B2, B6, and B12) in four food reference materials. | 2001 Jan |
|
| [Postoperative encephalopathies: thiamine deficiency, an unrecognized etiology]. | 2001 Jan |
|
| Nutritional evaluation of some processed catering foods. | 2001 Jan |
|
| Thiamin treatment and working memory function of alcohol-dependent people: preliminary findings. | 2001 Jan |
|
| In vivo microdialysis in an animal model of neurological disease: thiamine deficiency (Wernicke) encephalopathy. | 2001 Jan |
|
| Sorption and desorption studies on chitin gels. | 2001 Jan 10 |
|
| Impact of the reduced folate carrier on the accumulation of active thiamin metabolites in murine leukemia cells. | 2001 Jan 12 |
|
| Isolation and characterization of a human thiamine pyrophosphokinase cDNA. | 2001 Jan 26 |
|
| Vitamin requirements of the cultured flesh fly cells, Sarcophaga peregrina (Diptera, Sarcophagidae). | 2001 Jan-Feb |
|
| Use of vitamin supplements and cataract: the Blue Mountains Eye Study. | 2001 Jul |
|
| Low thiamine intake and risk of cataract. | 2001 Jul |
|
| Sulphoacetaldehyde sulpho-lyase (EC 4.4.1.12) from Desulfonispora thiosulfatigenes: purification, properties and primary sequence. | 2001 Jul 15 |
|
| Vitamin B intake and status in healthy Havanan men, 2 years after the Cuban neuropathy epidemic. | 2001 Jun |
|
| Nutritional status in elderly female hip fracture patients: comparison with an age-matched home living group attending day centres. | 2001 Jun |
|
| Sulfur compounds reduce potato toxins during extrusion cooking. | 2001 Jun |
|
| Severe lactic acidosis and thiamine administration in an HIV-infected patient on HAART. | 2001 Jun |
|
| Catalytic acid-base groups in yeast pyruvate decarboxylase. 1. Site-directed mutagenesis and steady-state kinetic studies on the enzyme with the D28A, H114F, H115F, and E477Q substitutions. | 2001 Jun 26 |
|
| Relationships between dietary intake and cognitive function level in Korean elderly people. | 2001 Mar |
|
| Wernicke's encephalopathy in patients with hyperemesis gravidarum. | 2001 Mar |
|
| Simultaneous determination of thiamin and riboflavin in mushrooms by liquid chromatography. | 2001 Mar |
|
| Thiamine treatment of chronic hepatitis B infection. | 2001 Mar |
|
| [Metabolic characteristics of the Yarrowia lipolytica strain producing alpha-ketoglutaric and citric acids from ethanol and the effect of [NH4+] and [O2] on yeast respiration and biosynthesis]. | 2001 Mar-Apr |
|
| [Isolation, purification and properties of acetolactate synthase from cultured Lactococcus lactis]. | 2001 Mar-Apr |
|
| [Solutions for the hyperalimentation]. | 2001 May |
|
| Early recognition of acute cardiovascular beriberi by interpretation of hemodynamics. | 2001 May |
|
| Wernicke's encephalopathy in a non-alcoholic man: case report and brief review. | 2001 May |
|
| Stability of thiamine and vitamins E and A during storage of enteral feeding formula. | 2001 May |
|
| The bio operon on the acquired symbiosis island of Mesorhizobium sp. strain R7A includes a novel gene involved in pimeloyl-CoA synthesis. | 2001 May |
|
| The use of thiamine and thiamine antagonists to investigate the etiology of early mortality syndrome in lake trout (Salvelinus namaycush). | 2001 May |
|
| Examination of donor substrate conversion in yeast transketolase. | 2001 May 11 |
|
| Application of liquid chromatography to the simultaneous determination of acetylsalicylic acid, caffeine, codeine, paracetamol, pyridoxine, and thiamine in pharmaceutical preparations. | 2001 May-Jun |
|
| The role of the cysteine residues of ThiI in the generation of 4-thiouridine in tRNA. | 2001 Sep 7 |
Patents
Sample Use Guides
The starting dose (as a component of M.V.I.–12) is one 10 mL daily dose added directly to an intravenous fluid.
Route of Administration:
Intravenous
Human Caco-2 cells were incubated (37 Celsius) in Krebs-Ringer buffer (pH 7.4) for different periods of time in the presence of 0.1 uM and 10 uM thiamine. The uptake study demonstrated that thiamine is transported across the cell membrane with Michaelis-Menten constant of 3.18 uM.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Jul 05 22:51:56 UTC 2023
by
admin
on
Wed Jul 05 22:51:56 UTC 2023
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| Record UNII |
25Z6V0JJ9I
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| Record Status |
Validated (UNII)
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| Record Version |
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25Z6V0JJ9I
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71587132
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DTXSID90189414
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ACTIVE MOIETY |