| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Hydroxocobalamin monohydrochloride targets methionine synthase (MS), methylmalonyl-CoA mutase (MCM), and methionine synthase reductase (MTRR). It also acts as a scavenger of nitric oxide (NO) and cyanide by binding these molecules with its cobalt atom. As a vitamin B12 analog, it serves as a cofactor for essential enzymatic reactions involved in DNA synthesis, red blood cell formation, and neurological function.
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|---|---|
| ln Vitro |
In vitro, hydroxocobalamin reduces vascular responses to nitric oxide (NO) by binding cyanide and NO with its cobalt atom[3].
In vitro, hydroxocobalamin reduces vascular responses to nitric oxide (NO) by binding cyanide and NO with its cobalt atom. It has been shown to protect against NaSH-induced hepatocyte cytotoxicity at concentrations of 50-100 microM. The compound's cobalt center enables it to interact with various ligands, contributing to its biochemical activities as a vitamin B12 derivative and cyanide scavenger. |
| ln Vivo |
Before or after administering LPS, hydroxocobalamin treatment reduces LPS-induced hypotension, raises plasma RNI, and improves LPS-induced RNI excretion in the urine. When fed to Swiss-Webster mice 30 minutes before to administering LPS (16 mg/kg ip), hydroxycobalamin (20 mg/kg ip) reduces the mortality of LPS from 80 to 50% after 24 hours and from 100 to 60% after 36 and 96 hours [3]. When hydroxocobalamin (0.25 mmol/kg) is given after NaSH administration, more than 60% of the mice given 35 mg/kg (0.63 mmol/kg) of NaSH (LD90) survive (at 24 h), whereas less than 15% of the animals survive without hydroxocobalamin. Hydroxocobalamin (50–100 μM) or cobalt (50–100 μM) can also stop NaSH (500 μM) from causing hepatocyte cytotoxicity. Moreover, adding hydroxocobalamin still has some protective action 60 minutes after NaSH[4].
In vivo, hydroxocobalamin treatment reduces LPS-induced hypotension and raises plasma RNI when administered before or after LPS challenge. In Swiss-Webster mice given LPS (16 mg/kg ip), hydroxocobalamin (20 mg/kg ip) reduced mortality from 80% to 50% at 24 hours and from 100% to 60% at 36 and 96 hours. When given after NaSH administration (0.25 mmol/kg), over 60% of mice survived NaSH at LD90 doses, compared to less than 15% without treatment. |
| Enzyme Assay |
The in vitro enzyme assay for hydroxocobalamin involves measuring its binding affinity to cyanide or nitric oxide using spectrophotometric methods. The compound is incubated with varying concentrations of the target ligand in appropriate buffer systems at physiological pH and temperature. The binding interaction is monitored by changes in absorbance spectra characteristic of the cobalt center coordination. For enzyme assays involving methionine synthase or methylmalonyl-CoA mutase, the compound serves as a cofactor and its activity is measured by following the enzymatic conversion of substrates using HPLC or radiometric detection methods.
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| Cell Assay |
In vitro cellular assays for hydroxocobalamin are conducted using hepatocyte or neuronal cell lines. Cells are seeded in multi-well plates and treated with varying concentrations of hydroxocobalamin (typically 10-200 uM) for 24-72 hours. Cell viability is assessed using MTT or ATP-based assays. For cyanide or sulfide toxicity studies, cells are exposed to toxic concentrations of NaSH or cyanide with or without hydroxocobalamin pretreatment, and cell survival is measured. The compound's protective effects against cytotoxicity are evaluated by comparing viability between treated and untreated groups.
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| Animal Protocol |
In vivo animal studies for hydroxocobalamin typically involve administration to rodents by intraperitoneal injection. Mice are treated with hydroxocobalamin (20 mg/kg ip) 30 minutes before or after LPS challenge (16 mg/kg ip), and mortality is monitored over 96 hours. For sulfide toxicity studies, mice receive NaSH (35 mg/kg, LD90) with or without hydroxocobalamin (0.25 mmol/kg), and survival is assessed at 24 hours. Blood pressure, plasma RNI levels, and urinary RNI excretion are measured to evaluate the compound's effects on LPS-induced hypotension.
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| ADME/Pharmacokinetics |
Hydroxocobalamin monohydrochloride has a molecular weight of 1382.82 and a molecular formula of C62H91ClCoN13O15P. It is a water-soluble compound with a LogP of 7.236. The compound is administered via injection as it is a large, polar molecule with poor oral bioavailability. It is distributed throughout the body and serves as a storage form of vitamin B12 in the liver. The compound is excreted primarily via the kidneys and bile. Detailed pharmacokinetic parameters are consistent with those of other vitamin B12 formulations.
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| Toxicity/Toxicokinetics |
Hydroxocobalamin has a favorable adverse effect profile. Common side effects include transient redness of the skin, headache, nausea, and injection site reactions. As a naturally occurring form of vitamin B12, it is generally well-tolerated. The compound is used as an antidote for cyanide poisoning due to its high-affinity binding of cyanide. No significant organ toxicity has been reported at therapeutic doses. The compound is contraindicated in patients with known hypersensitivity to vitamin B12 or cobalt.
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| References |
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| Additional Infomation |
See other relationships...
Hydroxocobalamin monohydrochloride (CAS 59461-30-2) is the hydrochloride salt form of hydroxocobalamin, also known as vitamin B12a. It is an injectable natural vitamin B12 indicated as a dietary supplement for vitamin B12 deficiencies including pernicious anemia. The compound acts as a cofactor for methionine synthase and methylmalonyl-CoA mutase, and serves as a scavenger of nitric oxide and cyanide. It is available for research use only and is not for human therapeutic use. |
| Molecular Formula |
C62H91CLCON13O15P
|
|---|---|
| Molecular Weight |
1383.82401585579
|
| Exact Mass |
1381.543
|
| CAS # |
59461-30-2
|
| Related CAS # |
27085-12-7;59461-30-2
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| PubChem CID |
169449864
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| Appearance |
Red to black solid powder
|
| LogP |
7.236
|
| Hydrogen Bond Donor Count |
11
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| Hydrogen Bond Acceptor Count |
20
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| Rotatable Bond Count |
26
|
| Heavy Atom Count |
93
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| Complexity |
3140
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[O-][Co+3]123([N]4=CN(C(OC(CO)C5OP6([O-])=O)C5O)C7=C4C=C(C)C(C)=C7)[N]8=C9C(CCC(N)=O)C(CC(N)=O)(C)C8(C)C(C(CC(N)=O)C%10(CCC(NCC(C)O6)=O)C)[N-]1C%10=C(C)C(C(CCC(N)=O)C%11(C)C)=[N]2C%11=CC%12=[N]3C(C(CC(N)=O)(C)C%12CCC(N)=O)=C9C.Cl[H]
|
| InChi Key |
KEHNCSYXYMMUCO-UHFFFAOYSA-K
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| InChi Code |
InChI=1S/C62H90N13O14P.ClH.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H;;1H2/q;;+3;/p-3
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| Chemical Name |
cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;hydroxide;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~72.32 mM)
H2O : ~25 mg/mL (~18.08 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (1.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (1.81 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: 50 mg/mL (36.16 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.7226 mL | 3.6132 mL | 7.2264 mL | |
| 5 mM | 0.1445 mL | 0.7226 mL | 1.4453 mL | |
| 10 mM | 0.0723 mL | 0.3613 mL | 0.7226 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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