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MedKoo Cat#: 576681 | Name: Indotecan hydrochloride

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Indotecan hydrochloride is a novel selective and potent topoisomerase I inhibitor with potential anticancer activitity.

Chemical Structure

Indotecan hydrochloride
Indotecan hydrochloride
CAS#1228035-68-4

Theoretical Analysis

MedKoo Cat#: 576681

Name: Indotecan hydrochloride

CAS#: 1228035-68-4

Chemical Formula: C26H27ClN2O7

Exact Mass: 514.1507

Molecular Weight: 514.96

Elemental Analysis: C, 60.64; H, 5.29; Cl, 6.88; N, 5.44; O, 21.75

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Indotecan hydrochloride; Indotecan HCl
IUPAC/Chemical Name
2,3-dimethoxy-6-(3-morpholinopropyl)-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione hydrochloride
InChi Key
XOLMUSQONFNQQM-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H26N2O7.ClH/c1-31-19-10-15-18(13-20(19)32-2)26(30)28(5-3-4-27-6-8-33-9-7-27)24-16-11-21-22(35-14-34-21)12-17(16)25(29)23(15)24;/h10-13H,3-9,14H2,1-2H3;1H
SMILES Code
Cl.COc1cc2C(=O)N(CCCN3CCOCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 514.96 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Jossé R, Martin SE, Guha R, Ormanoglu P, Pfister TD, Reaper PM, Barnes CS, Jones J, Charlton P, Pollard JR, Morris J, Doroshow JH, Pommier Y. ATR inhibitors VE-821 and VX-970 sensitize cancer cells to topoisomerase i inhibitors by disabling DNA replication initiation and fork elongation responses. Cancer Res. 2014 Dec 1;74(23):6968-79. doi: 10.1158/0008-5472.CAN-13-3369. Epub 2014 Sep 30. PubMed PMID: 25269479; PubMed Central PMCID: PMC4252598. 2: Beck DE, Agama K, Marchand C, Chergui A, Pommier Y, Cushman M. Synthesis and biological evaluation of new carbohydrate-substituted indenoisoquinoline topoisomerase I inhibitors and improved syntheses of the experimental anticancer agents indotecan (LMP400) and indimitecan (LMP776). J Med Chem. 2014 Feb 27;57(4):1495-512. doi: 10.1021/jm401814y. Epub 2014 Feb 11. PubMed PMID: 24517248; PubMed Central PMCID: PMC3983348. 3: Pfister TD, Hollingshead M, Kinders RJ, Zhang Y, Evrard YA, Ji J, Khin SA, Borgel S, Stotler H, Carter J, Divelbiss R, Kummar S, Pommier Y, Parchment RE, Tomaszewski JE, Doroshow JH. Development and validation of an immunoassay for quantification of topoisomerase I in solid tumor tissues. PLoS One. 2012;7(12):e50494. doi: 10.1371/journal.pone.0050494. Epub 2012 Dec 28. PubMed PMID: 23284638; PubMed Central PMCID: PMC3532478. 4: Cinelli MA, Reddy PV, Lv PC, Liang JH, Chen L, Agama K, Pommier Y, van Breemen RB, Cushman M. Identification, synthesis, and biological evaluation of metabolites of the experimental cancer treatment drugs indotecan (LMP400) and indimitecan (LMP776) and investigation of isomerically hydroxylated indenoisoquinoline analogues as topoisomerase I poisons. J Med Chem. 2012 Dec 27;55(24):10844-62. doi: 10.1021/jm300519w. Epub 2012 Dec 7. PubMed PMID: 23215354; PubMed Central PMCID: PMC3542640. 5: Balaña-Fouce R, Prada CF, Requena JM, Cushman M, Pommier Y, Ã