MIR96-IN-1 targets the Drosha site in the hairpin precursor structure of miR-96 (miRNA-96, microRNA-96), inhibits its biogenesis, inhibits downstream targets, and triggers apoptosis of breast cancer/tumor cells. ). The Kd of MIR96-IN-1 binding to RNA1, RNA2, RNA3, RNA4 and RNA5 were 1.3, 9.4, 3.4, 1.3 and 7.4 μM, respectively. MIR96-IN-1 is a reagent for click chemistry. It has an Azide (N3) moiety and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing an Alkyne group. SPAAC (Strain-promoted alkyne-azide cycloaddition) may also happen with compounds bearing a BCN or DBCO group.

Physicochemical Properties

Molecular Formula	C33H48N8O2
Molecular Weight	588.8
Exact Mass	588.39
CAS #	1311982-88-3
PubChem CID	72699186
Appearance	Light yellow to yellow solid powder
LogP	6.02
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Heavy Atom Count	43
Complexity	910
Defined Atom Stereocenter Count	0
InChi Key	LTPQCIXFOJELHJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C33H48N8O2/c1-32(2,3)25-20-23(31-37-27-12-11-24(22-28(27)38-31)41-17-15-40(7)16-18-41)21-26(33(4,5)6)30(25)43-19-8-10-29(42)35-13-9-14-36-39-34/h11-12,20-22H,8-10,13-19H2,1-7H3,(H,35,42)(H,37,38)
Chemical Name	N-(3-azidopropyl)-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
Synonyms	MIR96IN1; MIR96 IN 1; MIR96-IN-1
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

ln Vitro	At micromolar concentrations, MIR96-IN-1 (compound 1) specifically suppresses the generation of mature miR-96 and induces the death of breast cancer cells [1]. Compound 3, or MIR96-IN-1, binds to the UU loop of miR-96 and prevents its synthesis [2].
References	[1]. Design of a small molecule against an oncogenic noncoding RNA. Proc Natl Acad Sci U S A. 2016 May 24;113(21):5898-903. [2]. Small Molecule Inhibition of miR-544 Biogenesis Disrupts Adaptive Responses to Hypoxia by Modulating ATM-mTOR Signaling. ACS Chem Biol. 2015 Oct 16;10(10):2267-76.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 100 mg/mL (~169.84 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.25 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 (4.25 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	1.6984 mL	8.4918 mL	16.9837 mL
	5 mM	0.3397 mL	1.6984 mL	3.3967 mL
	10 mM	0.1698 mL	0.8492 mL	1.6984 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.