Exatecan Intermediate 2 (compound B) is an intermediate of Exatecan (DX-8951). Exatecan is an anticancer agent that is a camptothecin analogue. It inhibits tumor growth by interfering with the proliferation and division of tumor cells by interacting with DNA. Exatecan is primarily used in research into a variety of cancers including ovarian, lung and breast cancer.

Physicochemical Properties

Molecular Formula	C13H15FN2O2
Molecular Weight	250.27
Exact Mass	250.112
CAS #	182182-31-6
Related CAS #	Exatecan Intermediate 2 hydrochloride
PubChem CID	10220585
Appearance	Off-white to gray solid powder
LogP	2.771
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	18
Complexity	361
Defined Atom Stereocenter Count	0
InChi Key	SEFPQWAVZCZXTK-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H15FN2O2/c1-6-8-3-4-11(16-7(2)17)13(18)12(8)10(15)5-9(6)14/h5,11H,3-4,15H2,1-2H3,(H,16,17)
Chemical Name	N-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
Synonyms	182182-31-6; N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide; Acetamide, N-(8-amino-6-fluoro-1,2,3,4-tetrahydro-5-methyl-1-oxo-2-naphthalenyl)-; N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetamide; N-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide; MFCD18827384; 2-acetylamino-8-amino-6-fluoro-5-methyl-1-tetralone; Exatecan Intermediate 2;
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	Topoisomerase
References	[1]. Antibody-Exatecan Conjugates with a Novel Self-immolative Moiety Overcome Resistance in Colon and Lung Cancer. Cancer Discov. 2023 Apr 3;13(4):950-973. [2]. Preparation of camptothecin derivative intermediate. China, CN115197088. 2022-10-18.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (399.57 mM) H2O : < 0.1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (19.98 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 50.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 5 mg/mL (19.98 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.9957 mL	19.9784 mL	39.9568 mL
	5 mM	0.7991 mL	3.9957 mL	7.9914 mL
	10 mM	0.3996 mL	1.9978 mL	3.9957 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.