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| ln Vivo |
Spirohydantoin mustard, or NCI172112, has the potential to pass through the blood-brain barrier as a carrier [1]. Following the administration of [2-chloroethyl-U-14C]NCI172112 or [hydantoin-4-14C]NCI172112 (3.13 mg/kg.iv), the total excretion of radioactivity in the urine and feces of the rats was measured. Rats treated with [hydantoin-14C]NCI172112 had considerably higher urinary radioactivity four hours after dose (P<0.005) than rats treated with [ethyl-14C]NCI172112. But after a day, for both labeling materials, about half of the dose was found in the urine. Radioactivity excreted from feces is slowly cleared, whereas renal excretion of the hydantoin-14C component is much higher. Rats given a single dosage of [hydantoin-14C]NCI17212 did not exhibit any radioactivity in their exhaled breath, and when [ethyl-14C]NCI172112 was administered, the radioactivity was measured at a level of less than 1%. Renal radioactive clearance was comparable four hours after [14C]NCI172112 was administered to rats with bile duct cannulation: 14.1±2.9 and 17.5±2.1% for ethyl-14C and 34.5±2.5 and 33.1±6.3% for hydantoin-14C. Urine doses after 3.13 and 6.25 mg/kg, respectively, were taken. There were variations in the two indicators' 4-hour urine excretion in dogs who received [14C]NCI172112 (1 mg/kg, i.v.). Hydantoin-14C and ethyl-14C elimination percentages were 29.4±2.7% and 17.2±3.5%, respectively (P<0.05) [2].
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| References | |
| Additional Infomation |
Spiromustine is a bifunctional nitrogen alkylating agent with antineoplastic activity and lipophilic properties. Containing a lipophilic hydantoin group that serves as a carrier to cross the blood brain barrier, spiromustine forms covalent linkages with nucleophilic centers in DNA, causing depurination, base-pair miscoding, strand scission, and DNA-DNA cross-linking, which may result in cytotoxicity. (NCI04)
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| Molecular Formula |
C14H23CL2N3O2
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|---|---|
| Molecular Weight |
336.25700
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| Exact Mass |
335.117
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| CAS # |
56605-16-4
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| PubChem CID |
41945
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| Appearance |
White to off-white solid powder
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| Density |
1.29g/cm3
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| Melting Point |
125.5°C
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| Index of Refraction |
1.56
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| LogP |
2.287
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
21
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| Complexity |
380
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
QNKJFXARIMSDBR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21)
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| Chemical Name |
3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
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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 |
| 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 (~297.39 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9739 mL | 14.8694 mL | 29.7389 mL | |
| 5 mM | 0.5948 mL | 2.9739 mL | 5.9478 mL | |
| 10 mM | 0.2974 mL | 1.4869 mL | 2.9739 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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