2. Cell Cycle/DNA Damage
  3. DNA Alkylator/Crosslinker
  4. NCI172112

NCI172112  (Synonyms: NSC172112; NSC268497)

Cat. No.: HY-U00155 Purity: 99.08%
SDS COA Handling Instructions

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NCI172112 is a classical bifunctional alkylating agent synthesized in an effort to develop antitumor agents effective against CNS tumors.

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

NCI172112 Chemical Structure

NCI172112 Chemical Structure

CAS No. : 56605-16-4

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Description

NCI172112 is a classical bifunctional alkylating agent synthesized in an effort to develop antitumor agents effective against CNS tumors.

In Vivo

NCI172112 (Spirohydantoin mustard, SHM) might serve as a carrier to cross the blood brain barrier[1]. The cumulative excretion of radioactivity in the urine and faeces of rats after administration of [2-chloroethyl-U-14C]NCI172112 or [hydantoin-4-14C]NCI172112 ( 3.13 mg/kg. i.v.) is measured. Four hours after dosing, a significantly (P<0.005) greater amount of radioactivity has been excreted in the urine of rats treated with [hydantoin-14C]NCI172112 than with [ethyl-14C]NCI172112. However, by 24 h, approx.50% of dose is recovered in the urine with both labelled materials. Clearance of radioactivity in the faeces is slow, but, as for the renal excretion, is significantly greater for the hydantoin-14C moiety. No radioactivity is found in the expired air of a rat receiving a single dosing of [hydantoin-14C]NCI172112 and less than 1% is measured after administration of [ethyl-14C]NCI172112. Renal clearance of radioactivity is similar 4 h after administration of [14C]NCI172112 to rats with biliary cannulas, with 14.1±2.9 and 17.5±2.1% of the ethyl-14C and 34.5±2.5 and 33.1±6.3%, of the hydantoin-14C dose appearing in the urine after dosing with 3.13 and 6.25 mg/kg, respectively. A difference in the 4 h urinary excretion of the two labels also is observed in dogs given [14C]NCI172112 (1 mg/kg, i.v.). The percentages of hydantoin-14C and ethyl-14C eliminated are 29.4±2.7% and 17.2±3.5%, respectively (P<0.05)[2].

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

336.26

Formula

C14H23Cl2N3O2
CAS No.
Appearance

Solid

Color

White to off-white

SMILES

O=C(N1CCN(CCCl)CCCl)NC2(CCCCC2)C1=O
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (297.39 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 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
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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

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Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Calculation results:
Working solution concentration: mg/mL
Purity & Documentation

Purity: 99.08%

SDS (393 KB)

COA (249 KB) HNMR (344 KB) RP-HPLC (364 KB) LCMS (104 KB)

Handling Instructions (2659 KB)
References
Animal Administration
[2]

Rats[2]
Male Sprague-Dawley rats (190-240 g) are lightly anaesthetized with pentobarbital (30 mg/kg i.p.) and [14C]NCI172112 (2 μCi/rat, 3.13 mg/kg) dissolved in DMSO injected into the femoral vein. The animals are individually housed in glass metabolic cages, with access to food and water for 96 h, and urine and faeces are collected separately. At 96 h, the rats are killed with an overdose of pentobarbital and each carcass is homogenized in 4 vol. water with a Waring blender. Radioactivity in aliquots of drug soln. and urine are measured by liquid scintillation counting with 15 mL phosphor.
Dogs[2]
Female foxhounds, weighing 15-20 kg, are anaesthetized with pentobarbital (30 mg/kg) and are maintained in this state throughout the experiment with aditional pentobarbital. [14C] NCI172112 (50-60 μCi, 1 mg/kg) in 1 mL DMSO is administered to the dogs via a catheter inserted into the femoral vein. Blood samples are withdrawn from the femoral artery by means of an indwelling catheter at timed intervals from 1 min to 4 h and transferred to heparinized tubes chilled on crushed ice. Immediately, a 0.5 mL aliquot is removed and extracted with three 2 mL vol. of cold toluene. The remaining blood is centrifuged, and 0.5 mL aliquots of plasma digested with NCS, extracted with 2 mL vol. of toluene or diluted with 2 mL 10% trichloroacetic acid. From the initial sampling of the dog blood to the start of the extraction or pptn. procedures for plasma, 8-14 min elapsed.

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

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.9739 mL 14.8694 mL 29.7389 mL 74.3472 mL
5 mM 0.5948 mL 2.9739 mL 5.9478 mL 14.8694 mL
10 mM 0.2974 mL 1.4869 mL 2.9739 mL 7.4347 mL
15 mM 0.1983 mL 0.9913 mL 1.9826 mL 4.9565 mL
20 mM 0.1487 mL 0.7435 mL 1.4869 mL 3.7174 mL
25 mM 0.1190 mL 0.5948 mL 1.1896 mL 2.9739 mL
30 mM 0.0991 mL 0.4956 mL 0.9913 mL 2.4782 mL
40 mM 0.0743 mL 0.3717 mL 0.7435 mL 1.8587 mL
50 mM 0.0595 mL 0.2974 mL 0.5948 mL 1.4869 mL
60 mM 0.0496 mL 0.2478 mL 0.4956 mL 1.2391 mL
80 mM 0.0372 mL 0.1859 mL 0.3717 mL 0.9293 mL
100 mM 0.0297 mL 0.1487 mL 0.2974 mL 0.7435 mL
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NCI172112 Related Classifications

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Keywords:

NCI17211256605-16-4NSC172112 NSC268497NCI 172112NCI-172112NSC 172112NSC-172112NSC268497NSC 268497NSC-268497DNA Alkylator/CrosslinkerInhibitorinhibitorinhibit

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