(αR)-Cyclopropaneacetamide-Exatecan (compound 2-A) is an Exenotecan analogue and a cytotoxic agent. (αR)-Cyclopropaneacetamide-Exatecan suppresses the proliferation/growth of U87MG and SK-BR-3 cells with IC50s of 8.11 and 2.31 μM, respectively.

Physicochemical Properties

Molecular Formula	C29H28FN3O6
Molecular Weight	533.55
Exact Mass	533.1962
CAS #	2414254-37-6
Related CAS #	Cyclopropaneacetamide-Exatecan;2414254-36-5
PubChem CID	146505723
Appearance	Light yellow to yellow solid powder
LogP	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	39
Complexity	1180
Defined Atom Stereocenter Count	3
SMILES	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)[C@@H](C7CC7)O)O
InChi Key	ODYAHADGPIHDQN-CIKSPIGKSA-N
InChi Code	InChI=1S/C29H28FN3O6/c1-3-29(38)17-8-21-24-15(10-33(21)27(36)16(17)11-39-28(29)37)23-19(32-26(35)25(34)13-4-5-13)7-6-14-12(2)18(30)9-20(31-24)22(14)23/h8-9,13,19,25,34,38H,3-7,10-11H2,1-2H3,(H,32,35)/t19-,25+,29-/m0/s1
Chemical Name	(2R)-2-cyclopropyl-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxyacetamide
Synonyms	AR)-Cyclopropaneacetamide-Exatecan; (alphaR)-Cyclopropaneacetamide-Exatecan; 2414254-37-6; SCHEMBL21881698;
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
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-drug conjugate and medical use thereof. WO2021190564A1.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (187.42 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.69 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8742 mL	9.3712 mL	18.7424 mL
	5 mM	0.3748 mL	1.8742 mL	3.7485 mL
	10 mM	0.1874 mL	0.9371 mL	1.8742 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.