Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H17N4OS.Br.BrH |
| Molecular Weight | 426.1711 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cc1c(CCO)sc[n+]1Cc2cnc(C)[nH]c2=N.Br.[Br-]
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 | Br |
| Molecular Weight | 79.9035 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | BrH |
| Molecular Weight | 80.9115 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H17N4OS |
| Molecular Weight | 265.3561 |
| Charge | 1 |
| 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 |
|---|---|---|
| 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 |
|
| Severe metabolic acidosis and heart failure due to thiamine deficiency. | 2001 Apr |
|
| Do breastfed infants need supplemental vitamins? | 2001 Apr |
|
| Conditioned nutritional deficiencies in the cardiomyopathic hamster heart. | 2001 Apr |
|
| Nutritional evaluation of ethanol-extracted lentil flours. | 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 |
|
| [Chronic alcohol abuse. Benfotiamine in alcohol damage is a must]. | 2001 Apr 19 |
|
| The multifaceted and widespread pathology of magnesium deficiency. | 2001 Feb |
|
| Consequences of a modified putative substrate-activation site on catalysis by yeast pyruvate decarboxylase. | 2001 Feb 13 |
|
| Inhibitors of advanced glycation end product-associated protein cross-linking. | 2001 Feb 14 |
|
| 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 |
|
| Molecular cloning of human thiamin pyrophosphokinase. | 2001 Jan 26 |
|
| Isolation and characterization of a human thiamine pyrophosphokinase cDNA. | 2001 Jan 26 |
|
| Marginal vitamin and mineral intake of Costa Rican adolescents. | 2001 Jan-Feb |
|
| Cardiac beriberi among illegal mainland Chinese immigrants. | 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 |
|
| 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 |
|
| Nutritional status in elderly female hip fracture patients: comparison with an age-matched home living group attending day centres. | 2001 Jun |
|
| Slc19a2: cloning and characterization of the murine thiamin transporter cDNA and genomic sequence, the orthologue of the human TRMA gene. | 2001 Jun |
|
| Simultaneous determination of thiamine and pyridoxine in pharmaceuticals by using a single flow-through biparameter sensor. | 2001 Jun |
|
| Severe lactic acidosis and thiamine administration in an HIV-infected patient on HAART. | 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 |
|
| Relationships between dietary intake and cognitive function level in Korean elderly people. | 2001 Mar |
|
| Wernicke's encephalopathy in patients with hyperemesis gravidarum. | 2001 Mar |
|
| Comparison of a self-administered quantitative food amount frequency questionnaire with 4-day estimated food records. | 2001 Mar |
|
| Wernicke's encephalopathy in a child: case report and MR findings. | 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 |
|
| [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 |
|
| Pharmacotherapy of mental illness--a historical analysis. | 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 |
|
| 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 |
|
| Examination of donor substrate conversion in yeast transketolase. | 2001 May 11 |
|
| 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 Jun 26 15:42:25 UTC 2021
by
admin
on
Sat Jun 26 15:42:25 UTC 2021
|
| Record UNII |
K971V37HSF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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4234-86-0
Created by
admin on Sat Jun 26 15:42:25 UTC 2021 , Edited by admin on Sat Jun 26 15:42:25 UTC 2021
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THIAMINE HYDROBROMIDE, ANHYDROUS
Created by
admin on Sat Jun 26 15:42:25 UTC 2021 , Edited by admin on Sat Jun 26 15:42:25 UTC 2021
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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
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admin on Sat Jun 26 15:42:25 UTC 2021 , Edited by admin on Sat Jun 26 15:42:25 UTC 2021
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K971V37HSF
Created by
admin on Sat Jun 26 15:42:25 UTC 2021 , Edited by admin on Sat Jun 26 15:42:25 UTC 2021
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |