Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H17N4OS.Br.BrH |
| Molecular Weight | 426.171 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.[Br-].CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N
InChI
InChIKey=BICSXHHXUZPOLW-UHFFFAOYSA-M
InChI=1S/C12H17N4OS.2BrH/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);2*1H/q+1;;/p-1
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| 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 |
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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 |
|---|---|---|
| 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 |
|
| Rapid diagnosis of alcoholic ketoacidosis by proton NMR. | 2001 Apr |
|
| Do breastfed infants need supplemental vitamins? | 2001 Apr |
|
| Analysis of slc19a2, on 1q23.3 encoding a thiamine transporter as a candidate gene for type 2 diabetes mellitus in pima indians. | 2001 Apr |
|
| Suppression of the accumulation of triosephosphates and increased formation of methylglyoxal in human red blood cells during hyperglycaemia by thiamine in vitro. | 2001 Apr |
|
| [Chronic alcohol abuse. Benfotiamine in alcohol damage is a must]. | 2001 Apr 19 |
|
| The multifaceted and widespread pathology of magnesium deficiency. | 2001 Feb |
|
| Aroma extract dilution analysis of a beeflike process flavor from extruded enzyme-hydrolyzed soybean protein. | 2001 Feb |
|
| Cresol red thallium acetate sucrose inulin (CTSI) agar for the selective recovery of Carnobacterium spp. | 2001 Feb 28 |
|
| Molecular cloning of human thiamin pyrophosphokinase. | 2001 Jan 26 |
|
| Isolation and characterization of a human thiamine pyrophosphokinase cDNA. | 2001 Jan 26 |
|
| Thiamine-responsive megaloblastic anemia syndrome: a disorder of high-affinity thiamine transport. | 2001 Jan-Feb |
|
| Marginal vitamin and mineral intake of Costa Rican adolescents. | 2001 Jan-Feb |
|
| 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 |
|
| Nerve conduction changes in patients with mitochondrial diseases treated with dichloroacetate. | 2001 Jul |
|
| Mechanism of thiamine uptake by human colonocytes: studies with cultured colonic epithelial cell line NCM460. | 2001 Jul |
|
| Sulphoacetaldehyde sulpho-lyase (EC 4.4.1.12) from Desulfonispora thiosulfatigenes: purification, properties and primary sequence. | 2001 Jul 15 |
|
| No association between DLST gene and Alzheimer's disease or Wernicke-Korsakoff syndrome. | 2001 Jul-Aug |
|
| The crystal structure of yeast thiamin pyrophosphokinase. | 2001 Jun |
|
| 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 |
|
| Vitamin B1 and B6 retention in milk after continuous-flow microwave and conventional heating at high temperatures. | 2001 Jun |
|
| Slc19a2: cloning and characterization of the murine thiamin transporter cDNA and genomic sequence, the orthologue of the human TRMA gene. | 2001 Jun |
|
| Chronic heart failure and micronutrients. | 2001 Jun 1 |
|
| Comparison of ion-pair and amide-based column reversed-phase liquid chromatography for the separation of thiamine-related compounds. | 2001 Jun 15 |
|
| Painful alcoholic polyneuropathy with predominant small-fiber loss and normal thiamine status. | 2001 Jun 26 |
|
| 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 |
|
| Crystal structure of thiamin pyrophosphokinase. | 2001 Jun 29 |
|
| 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 |
|
| Comparison of a self-administered quantitative food amount frequency questionnaire with 4-day estimated food records. | 2001 Mar |
|
| The genes for anabolic 2-oxoglutarate: ferredoxin oxidoreductase from Hydrogenobacter thermophilus TK-6. | 2001 Mar 30 |
|
| [Isolation, purification and properties of acetolactate synthase from cultured Lactococcus lactis]. | 2001 Mar-Apr |
|
| [Other drugs administered with TPN solution]. | 2001 May |
|
| [Metabolic acidosis induced by TPN]. | 2001 May |
|
| [Solutions for the hyperalimentation]. | 2001 May |
|
| The application of capillary electrophoresis to the analysis of vitamins in food and beverages. | 2001 May |
|
| A novel mutation in the SLC19A2 gene in a Tunisian family with thiamine-responsive megaloblastic anaemia, diabetes and deafness syndrome. | 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 |
|
| The bio operon on the acquired symbiosis island of Mesorhizobium sp. strain R7A includes a novel gene involved in pimeloyl-CoA synthesis. | 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
Sat Dec 16 10:11:56 UTC 2023
by
admin
on
Sat Dec 16 10:11:56 UTC 2023
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| Record UNII |
K971V37HSF
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| Record Status |
Validated (UNII)
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| Record Version |
|
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4234-86-0
Created by
admin on Sat Dec 16 10:11:56 UTC 2023 , Edited by admin on Sat Dec 16 10:11:56 UTC 2023
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THIAMINE HYDROBROMIDE, ANHYDROUS
Created by
admin on Sat Dec 16 10:11:56 UTC 2023 , Edited by admin on Sat Dec 16 10:11:56 UTC 2023
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PRIMARY | Description: A white to yellowish white, crystalline powder; odour, slight and characteristic. Solubility: Freely soluble in water and in methanol R; sparingly soluble in ethanol (~750 g/l) TS; practically insoluble in ether R. Category: Component of vitamin B. Storage: Thiamine hydrobromide should be kept in a tightly closed, non-metallic container, protected from light. Definition: Thiamine hydrobromide contains not less than 98.0% and not more than 101.0% of C12H17BrN4OS, HBr, calculated with reference to the dried substance. | ||
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14216038
Created by
admin on Sat Dec 16 10:11:56 UTC 2023 , Edited by admin on Sat Dec 16 10:11:56 UTC 2023
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K971V37HSF
Created by
admin on Sat Dec 16 10:11:56 UTC 2023 , Edited by admin on Sat Dec 16 10:11:56 UTC 2023
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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