| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
Exatecan intermediate 12 has no direct biological target; it is a synthetic intermediate. The final drug, Exatecan, targets topoisomerase I, a nuclear enzyme that relieves torsional stress in DNA during replication and transcription. Exatecan stabilizes the cleavable complex between topoisomerase I and DNA, leading to the accumulation of DNA single-strand breaks, which are converted to double-strand breaks during S-phase, resulting in replication fork collapse, DNA damage, cell cycle arrest in G2/M phase, and apoptosis. Exatecan is a potent ADC payload (warhead) used in antibody-drug conjugates for targeted cancer therapy.
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| ln Vitro |
The compound itself is not a drug and has no direct in vitro biological activity. It is a chemical intermediate for the synthesis of Exatecan, which is a potent topoisomerase I inhibitor. Exatecan has IC₅0 values in the low nanomolar range against various cancer cell lines (e.g., 0.1-5 nM for NCI-H460, MCF-7, HeLa). The intermediate is not tested in biological assays.
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| ln Vivo |
Not applicable. Exatecan intermediate 12 is not intended for in vivo use as a drug. It is a chemical intermediate. It is used in the synthesis of Exatecan and ADC compounds. In vivo biological activity would be determined by the final drug molecule (Exatecan or its ADC conjugates), not by the intermediate itself. Exatecan-based ADCs (e.g., DS-8201a, trastuzumab deruxtecan) are used in the clinic for HER2-positive breast cancer and other cancers.
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| Enzyme Assay |
Not applicable. Exatecan intermediate 12 is a chemical intermediate, not a standard enzyme inhibitor. Its purity (>98%) is assessed by HPLC. The structure is confirmed by ¹H NMR, ¹3C NMR, and mass spectrometry (ESI-MS, expected [M+H]+ m/z 308). Physicochemical properties: MW 307.30, white to off-white solid powder, LogP 0.106, tPSA 86.99, H-bond donor count 1, H-bond acceptor count 6, rotatable bond count 1, complexity 630, soluble in DMSO (230 mg/mL), stored at -20degC. No biological assays are applicable.
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| Cell Assay |
Not applicable. Exatecan intermediate 12 is not used in standard cell-based assays for drug discovery. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with the compound (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be >500 uM, indicating low cytotoxicity. The compound is a synthetic intermediate, not a test agent for pharmacological studies.
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| Animal Protocol |
No in vivo animal protocol for Exatecan intermediate 12 exists, as it is a synthetic intermediate, not a drug candidate. For in vivo efficacy studies of Exatecan-based ADCs, female BALB/c nude mice (6-8 wk) are subcutaneously inoculated with 5×10⁶ HER2-positive cancer cells (e.g., NCI-N87, SK-BR-3). When tumors reach ~100-150 mm3, mice are randomized into treatment groups (n=6-8/group). The ADC (e.g., trastuzumab deruxtecan, 1-10 mg/kg) is administered intravenously once weekly for 2-3 weeks. Tumor volume is measured every 2-3 days with calipers. Exatecan intermediate 12 is not used in these studies.
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| ADME/Pharmacokinetics |
No PK data for Exatecan intermediate 12 is available, as it is an intermediate, not a drug. It is not intended for systemic administration. For research use, it is stored as a powder at -20degC (powder: -20degC for 3 years, 4degC for 2 years; in solvent: -80degC for 6 months, -20degC for 1 month) in a tightly sealed container, protected from light and moisture. It is soluble in DMSO.
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| Toxicity/Toxicokinetics |
For Exatecan intermediate 12, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at -20degC, sealed, protect from light.
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| Additional Infomation |
Exatecan intermediate 12 (CAS# 110351-93-4) is a research-grade synthetic intermediate for the ADC toxin Exatecan. It is not an FDA-approved drug. It is used in the synthesis of Exatecan and antibody-drug conjugates (ADCs) for targeted cancer therapy. For research and industrial synthesis use only, not for diagnostic or therapeutic applications.
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| Molecular Formula |
C15H17NO6
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|---|---|
| Molecular Weight |
307.30
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| Exact Mass |
307.106
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| CAS # |
110351-93-4
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| PubChem CID |
10902872
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| Appearance |
White to off-white solid powder
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| LogP |
0.106
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
22
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| Complexity |
630
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CCC1(C2=C(COC1=O)C(=O)N3CCC4(C3=C2)OCCO4)O
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| InChi Key |
GHFZMAJAVDXFDR-AWEZNQCLSA-N
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| InChi Code |
InChI=1S/C15H17NO6/c1-2-14(19)10-7-11-15(21-5-6-22-15)3-4-16(11)12(17)9(10)8-20-13(14)18/h7,19H,2-6,8H2,1H3/t14-/m0/s1
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| Chemical Name |
(4'S)-4'-ethyl-4'-hydroxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-1H-pyrano[3,4-f]indolizine]-3',10'-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 : ~230 mg/mL (~748.45 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5.75 mg/mL (18.71 mM)(saturation unknown) in 10% DMSO 40% PEG300 5% Tween-80 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 57.5 mg/mL clear DMSO stock solution and add it to 400 μL PEG300, mix well; then add 50 μL Tween-80 to the above system, mix well; then continue to add 450 μL of normal saline to make up to 1 mL. Preparation of normal saline: Dissolve 0.9 g of sodium chloride in ddH₂O and make up to 100 mL to obtain a clear and transparent normal saline solution. Solubility in Formulation 2: ≥ 5.75 mg/mL (18.71 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 57.5 mg/mL clear DMSO stock solution and add it to 900 μL of 20% SBE-β-CD saline solution and mix well. 2 g SBE-β-CD (sulfobutyl ether β-cyclodextrin) powder is diluted to 10 mL of saline and completely dissolved until clear and transparent. Solubility in Formulation 3: ≥ 5.75 mg/mL (18.71 mM)(saturation unknown) in 10% DMSO 90% Corn Oil (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 57.5 mg/mL clear DMSO stock solution and add it to 900 μL corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2541 mL | 16.2707 mL | 32.5415 mL | |
| 5 mM | 0.6508 mL | 3.2541 mL | 6.5083 mL | |
| 10 mM | 0.3254 mL | 1.6271 mL | 3.2541 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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