Corin is a novel and potent inhibitor of histone lysine specific demethylase (LSD1) and histone deacetylase (HDAC) with anticancer effects. It inhibits LSD1 and HDAC1 with a Ki(inact) of 110 nM for LSD1 and an IC50 of 147 nM for HDAC1.

Physicochemical Properties

Molecular Formula	C26H28N4O2
Molecular Weight	428.526125907898
Exact Mass	428.221
CAS #	1808113-09-8
PubChem CID	134828251
Appearance	Light yellow to yellow solid powder
LogP	2.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	32
Complexity	625
Defined Atom Stereocenter Count	2
SMILES	O=C(CCCC1C=CC(C(NC2C=CC=CC=2N)=O)=CC=1)NC1C=CC(=CC=1)C1CC1N
InChi Key	TYTLARZOLKJSJU-JTHBVZDNSA-N
InChi Code	InChI=1S/C26H28N4O2/c27-22-5-1-2-6-24(22)30-26(32)19-10-8-17(9-11-19)4-3-7-25(31)29-20-14-12-18(13-15-20)21-16-23(21)28/h1-2,5-6,8-15,21,23H,3-4,7,16,27-28H2,(H,29,31)(H,30,32)/t21-,23+/m0/s1
Chemical Name	4-[4-[4-[(1S,2R)-2-aminocyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide
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: 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

ln Vitro

Through the CoREST ternary complex, corin prevents semisynthetic, recombinant nucleosomes from being deacetylated. HDAC1 activity is irreversibly inhibited by corin. Corin seems to be more potent than MS-275 (EC50 of 95 nM against EC50 of 420 nM for MS-275) and causes cellular H3K9 necking more successfully. It's interesting to note that, in contrast to MS-275 (1 μM), Corin (1 μM) is not harmful to primary human melanocytes[1].

References

[1]. Targeting the CoREST complex with dual histone deacetylase and demethylase inhibitors. Nat Commun. 2018 Jan 4;9(1):53.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~233.36 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.83 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 25.0 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: ≥ 2.5 mg/mL (5.83 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	2.3336 mL	11.6678 mL	23.3356 mL
	5 mM	0.4667 mL	2.3336 mL	4.6671 mL
	10 mM	0.2334 mL	1.1668 mL	2.3336 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.