AN-12-H5 intermediate-1 ((2S,4S)-1-tert-butyl 2-methyl-4-hydroxypiperidine-1,2-dicarboxylate) is an intermediate of the viral inhibitor AN-12-H5 and can be used to synthesize Antibody-Drug Conjugates (ADCs).

Physicochemical Properties

Molecular Formula	C12H21NO5
Molecular Weight	259.30
Exact Mass	259.142
CAS #	254882-14-9
PubChem CID	7010734
Appearance	Colorless to light yellow liquid（Density：1.182±0.06 g/cm3）
Density	1.182g/cm3
Boiling Point	352.1ºC at 760 mmHg
Flash Point	166.8ºC
Vapour Pressure	2.3E-06mmHg at 25°C
Index of Refraction	1.495
LogP	1.159
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	18
Complexity	323
Defined Atom Stereocenter Count	2
SMILES	CC(C)(C)OC(=O)N1CC[C@@H](C[C@H]1C(=O)OC)O
InChi Key	RNMVWSAJMIKMDY-IUCAKERBSA-N
InChi Code	InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m0/s1
Chemical Name	1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypiperidine-1,2-dicarboxylate
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

References

[1].AN-12-H5 shows no inhibitory effect on PI4KB activity and only moderate inhibitory effects on PI 3-kinase activity[1].

Solubility Data

Solubility (In Vitro)

DMSO :~100 mg/mL (~385.65 mM; with sonication)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.64 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 25.0 mg/mL clear DMSO stock solution and add it to 900 μL of 20% SBE-β-CD saline solution and mix well. 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.64 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 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	3.8565 mL	19.2827 mL	38.5654 mL
	5 mM	0.7713 mL	3.8565 mL	7.7131 mL
	10 mM	0.3857 mL	1.9283 mL	3.8565 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.