CAS Number136572-09-3
SynonymsCPT-11 Trihydrate; Irinotecan hydrochloride trihydrate; MFCD01765731; Irinotecan HCl Trihydrate; Irinotecan (hydrochloride trihydrate)
Molecular FormulaC33H45O9N4Cl1
Molecular Weight677.19
Purity98.00%
Boiling Point873.4ºC at 760 mmHg
Melting Point250-256ºC (dec.)
AppearanceSolid;White to Orange to Green powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 136572-09-3 |
| Catalog No. | 2A-9011026 |
| Chinese Name | 盐酸伊立替康 |
| Synonyms | CPT-11 Trihydrate; Irinotecan hydrochloride trihydrate; MFCD01765731; Irinotecan HCl Trihydrate; Irinotecan (hydrochloride trihydrate) |
| Molecular Formula | C33H45O9N4Cl1 |
| Molecular Weight | 677.19 |
| Purity | 98.00 |
| Boiling Point | 873.4ºC at 760 mmHg |
| Melting Point | 250-256ºC (dec.) |
| Appearance | Solid;White to Orange to Green powder to crystal |
| Water Solubility | Soluble in: methanol |
| Storage Condition | 0-10°C; avoid heating |
| Application | Irinotecan hydrochloride trihydrate is a water-soluble topoisomerase I inhibitor with anti-tumor activity. |
| HTC | 2934999090 |
| MDL Number | MFCD01765731 |
| SMILES | CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC.Cl.O.O.O |
| InChI | InChI=1S/C33H38N4O6.ClH.3H2O/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;;;;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H;3*1H2/t33-;;;;/m0..../s1 |
| InChI Key | KLEAIHJJLUAXIQ-JDRGBKBRSA-N |
| MSDS | msds/11026_1_136572_09_3.pdf |
| Bioactivity | Irinotecan hydrochloride trihydrate is a water soluble topoisomerase I inhibitor with antitumor activity. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Cell Cycle/DNA Damage >> Topoisomerase Research Areas >> Cancer Target Topoisomerase I In Vitro Irinotecan hydrochloride trihydrate is a topoisomerase I inhibitor. Irinotecan inhibits the growth of LoVo and HT-29 cells, with IC50s of 15.8 ± 5.1 and 5.17 ± 1.4 μM, respectively, and induces similar amounts of cleavable complexes in both in LoVo and HT-29 cells[2]. Irinotecan suppresses the proliferation of human umbilical vein endothelial cells (HUVEC), with an IC50 of 1.3 μM[3]. In Vivo Irinotecan (CPT-11, 5 mg/kg) significantly inhibits the growth of tumors by intratumoral injection daily for 5 days, on two consecutive weeks in rats, and such effects also occur via continuous intraperitoneal infusion by osmotic minipump into mice. However, Irinotecan (10 mg/kg) shows no effect on the growth of tumor by i.p[1]. Irinotecan (CPT-11, 100-300 mg/kg, i.p.) apparently suppresses tumor growth of HT-29 xenografts in athymic female mice by day 21. The two groups of Irinotecan (125 mg/kg) plus TSP-1 (10 mg/kg per day) or Irinotecan (150 mg/kg) in combination TSP-1 (20 mg/kg per day) are nearly equally effective and inhibit tumor growth 84% and 89%, respectively, and both are more effective than Irinotecan alone at doses of 250 and 300 mg/kg[3]. Cell Assay Exponentially growing cells are seeded in 20 cm2 dishes with an optimal cell number for each cell line (20,000 for LoVo cells, 100,000 for HT-29 cells). They are treated 2 days later with increasing concentrations of irinotecan or SN-38 for one cell doubling time (24 h for LoVo cells, 40 h for HT-29 cells). After washing with 0.15 M NaCl, the cells are further grown for two doubling times in normal medium, detached from the support with trypsin-EDTA and counted in a hemocytometer. The IC50 values are then estimated as the drug concentrations responsible for 50% growth inhibition as compared with cells incubated without drug[2]. Animal Admin Irinotecan has been administered by intratumoral injection at 0.1 cc volume of the appropriate solution, for a doses of 5 mg/kg daily for 5 days, on two consecutive weeks, followed by a 7-days rest period, referred to as one cycle of therapy. Rats receive three cycles over a period of 8 weeks. Control animals receive 0.1 cc of sterile 0.9% sodium chloride solution by intratumoral injection in the same rule of administration as that of animals of group II[1]. References [1]. Morales C, et al. Antitumoral effect of irinotecan (CPT-11) on an experimental model of malignant neuroectodermal tumor. J Neurooncol. 2002 Feb;56(3):219-26. [2]. Pavillard V, et al. Determinants of the cytotoxicity of irinotecan in two human colorectal tumor cell lines. Cancer Chemother Pharmacol. 2002 Apr;49(4):329-35. Epub 2002 Jan 30. [3]. Allegrini G, et al. Thrombospondin-1 plus irinotecan: a novel antiangiogenic-chemotherapeutic combination that inhibits the growth of advanced human colon tumor xenografts in mice. Cancer Chemother Pharmacol. 2004 Mar;53(3):261-6. Epub 2003 Dec 5. Chemical & Physical Properties Boiling Point 873.4ºC at 760 mmHg Melting Point 250-256ºC (dec.) Molecular Formula C33H45ClN4O9 Molecular Weight 677.185 Flash Point 482ºC Exact Mass 676.287537 PSA 141.89000 LogP 4.57600 InChIKey KLEAIHJJLUAXIQ-JDRGBKBRSA-N SMILES CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC.Cl.O.O.O |
| Use of | Irinotecan hydrochloride trihydrate is a water soluble topoisomerase I inhibitor with antitumor activity. Properties Name Irinotecan Hydrochloride Trihydrate Synonym More Synonyms Irinotecan HCI Trihydrate Biological Activity Description Irinotecan hydrochloride trihydrate is a water soluble topoisomerase I inhibitor with antitumor activity. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Cell Cycle/DNA Damage >> Topoisomerase Research Areas >> Cancer Topoisomerase I References [1]. Morales C, et al. Antitumoral effect of irinotecan (CPT-11) on an experimental model of malignant neuroectodermal tumor. J Neurooncol. 2002 Feb;56(3):219-26. [2]. Pavillard V, et al. Determinants of the cytotoxicity of irinotecan in two human colorectal tumor cell lines. Cancer Chemother Pharmacol. 2002 Apr;49(4):329-35. Epub 2002 Jan 30. [3]. Allegrini G, et al. Thrombospondin-1 plus irinotecan: a novel antiangiogenic-chemotherapeutic combination that inhibits the growth of advanced human colon tumor xenografts in mice. Cancer Chemother Pharmacol. 2004 Mar;53(3):261-6. Epub 2003 Dec 5. Chemical & Physical Properties Exact Mass 676.287537 PSA 141.89000 LogP 4.57600 InChIKey KLEAIHJJLUAXIQ-JDRGBKBRSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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