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Cat. No.: HY-113045

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Aquacobalamin

Aquacobalamin is an orally active cobalamin (vitamin B₁₂) derivative. Aquacobalamin acts as an antidote to exert neuroprotective, anticonvulsant, and promyelinating effects. Aquacobalamin exhibits condition-dependent bidirectional redox regulatory functions within cells (antioxidant scavenging of superoxide anions or pro-oxidant induction of cell apoptosis), and possesses weak antitumor activity. Aquacobalamin can be used in research on convulsions, cyanide poisoning, cancer, and hepatitis.

For research use only. We do not sell to patients.

CAS No.: 13422-52-1
Formula: C₆₂H₉₀CoN₁₃O₁₆P
Molecular Weight:1363.36

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (322 KB)

Aquacobalamin Chemical Structure

CAS No.: 13422-52-1

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Use of MCE Products

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
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Biological Activity

Description

IC₅₀ & Target

Human Endogenous Metabolite

All Endogenous Metabolite Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	> 200 nM	Weak cytotoxicity against human A549 lung adenocarcinoma cells assessed as viability reduction after 72 hrs incubation by MTT assay, with IC50 greater than 200 nM. Weak cytotoxicity against human A549 lung adenocarcinoma cells assessed as viability reduction after 72 hrs incubation by MTT assay, with IC50 greater than 200 nM.	farmakoekonomika.2024.231
BT-474	IC₅₀	> 200 nM	Weak cytotoxicity against human BT-474 breast ductal carcinoma cells assessed as viability reduction after 72 hrs incubation by MTT assay, with IC50 greater than 200 nM. Weak cytotoxicity against human BT-474 breast ductal carcinoma cells assessed as viability reduction after 72 hrs incubation by MTT assay, with IC50 greater than 200 nM.	farmakoekonomika.2024.231

In Vitro

Anti-cancerNucleotide Metabolism

Anti-cancer

Aquacobalamin (3.125-200 μg/L; 72 h) exhibits weak cytotoxicity in lung cancer A549 cells and breast cancer BT-474 cells, with IC₅₀ values both >200 nM^[7].

Nucleotide Metabolism

Aquacobalamin restores and supports cell proliferation and replication in vitamin B12-deficient L1210 mouse leukemia cells (in combination with Levomefolic acid (HY-14781))^[3].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Viability Assay^[7]

Cell Line:

A549 cells, BT-474 cells and Fb-hTERT cells
Concentration:

3.125, 6.25, 12.5, 25, 50, 100, 200 μg/L
Incubation Time:

72 h
Result:

Showed weak cytotoxic properties, with an IC₅₀ > 200 nM, indicating low cytotoxicity in both tumor cell lines and normal fibroblasts.

In Vivo

Anti-cancerOxidative StressOthers

Anti-cancer

Aquacobalamin (160 μg/kg; i.g.; once daily; 14 days) shows a moderate (10-20%) trend of inhibiting tumor growth in the F1 hybrid mouse model bearing Lewis lung cancer^[7].

Oxidative Stress

Aquacobalamin (60 μg/kg; i.m.; once daily; co-administered with Isoniazid for 6 days followed by administration alone for 10 days; 16 days total) normalizes serum total protein levels, reduces lipid peroxidation, and attenuates acute ischemia and cellular degeneration in the renal cortex in the Isoniazid (HY-B0329)-induced acute hepatitis rat model^[8].

Others

Aquacobalamin (60 μg/kg; i.m.; once daily; 18 days) prolongs seizure latency, reduces seizure frequency and severity, and exerts antispasmodic, neuroprotective, and myelin-promoting effects in the Thiosemicarbazide (HY-Y0032)-induced epileptic rat model^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

white (male, 200-300 g)^[1]
Dosage:

60 μg/kg
Administration:

i.m.; once daily; 18 days
Result:

Significantly increased the latency period to seizures and decreased the number and severity of seizures.
Exhibited antispasmodic, neuroprotective, and myelinating effects, preserving nerve fibers and reducing perivascular edema.

Animal Model:

F1 hybrid (CBA × C57BL6j) (male; age 2.5-3 months; body weight 23-26 g)^[7]
Dosage:

160 µg/kg
Administration:

i.g.; once daily; from day 7 to day 20 after LLC transplantation
Result:

Was well tolerated and did not cause any neurological, behavioral, or body weight loss side effects.
Caused a moderate tumor growth inhibition trend of 10-20%, steadily suppressing LLC tumor volume without a significant anti-metastatic effect.

Related Protocols :

Chemical Information

CAS No. 13422-52-1
Molecular Weight 1363.36
Formula C₆₂H₉₀CoN₁₃O₁₆P
SMILES

O[Co+3]1234-;@[N]5=;@C6-;@C(C)=;@C(-;@C(CC(N)=O)(C)-;@C-;@7CCC(N)=O)-;@[N]-;@1=;@C7-;@C=;@C(-;@C(C)(C)-;@C-;@8CCC(N)=O)-;@[N]-;@2=;@C8-;@C(C)=;@C(-;@C(C)(-;@C-;@C-;@C(-;@N-;@C-;@C(C)-;@O-;@P(-;@O-;@C9-;@C(O)-;@C(-;@O-;@C-;@9CO)-;@N%10-;@C=;@[N]-;@4-;@C%11=;@C-;@%10-;@C=;@C(C)-;@C(C)=;@C-;@%11)([O-])=O)=O)-;@C-;@%12CC(N)=O)-;@[N-]-;@3-;@C%12-;@C-;@5(C)-;@C(CC(N)=O)(C)-;@C-;@6CCC(N)=O.[OH-]
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (322 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Gromova OA, et al. Vitamin B12 hydrophobic derivative exhibits bioactivity: biomedical and photophysical study. BioNanoScience. 2022 Mar;12(1):74-82.

[2]. Moreira ES, et al. Vitamin B12 protects against superoxide-induced cell injury in human aortic endothelial cells. Free radical biology & medicine. 2011 Aug 15;51(4):876-83. [Content Brief]

[3]. Fujii K, et al. Vitamin B12-dependent replication of L1210 mouse leukemia cells. A model system for cobalamin-folate inter-relationships. Journal of Biological Chemistry. 1981 Oct 25;256(20):10329-34.

[4]. Shatalin YV, et al. Differences in the Formation of Reactive Oxygen Species and Their Cytotoxicity between Thiols Combined with Aqua- and Cyanocobalamins. International journal of molecular sciences. 2022 Sep 20;23(19):11032.

[5]. Krapez JR, et al. Effects of cyanide antidotes used with sodium nitroprusside infusions: sodium thiosulphate and hydroxocobalamin given prophylactically to dogs. British journal of anaesthesia. 1981 Aug;53(8):793-804.

[6]. Birch CS, et al. A novel role for vitamin B(12): Cobalamins are intracellular antioxidants in vitro. Free radical biology & medicine. 2009 Jul 15;47(2):184-8.

[7]. Gromova OA, et al. Antitumor effects of vitamin B12 in vitro, in vivo, in silico. FARMAKOEKONOMIKA. Modern Pharmacoeconomics and Pharmacoepidemiology. 2024 Apr 3.

[8]. Gromova OA, et al. Antidote activity of vitamin B12 derivative compared with its original and aqua forms; in vitro and in vivo study. Journal of Food Science and Technology. 2025 May 23:1-3.

Calculators

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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Dilution Calculator

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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MOQ

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100 mg

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