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MIR96-IN-1

CAT: 0804-HY-15843-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15843-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MIR96-IN-1 targets the Drosha site in the miR-96 (miRNA-96, microRNA-96) hairpin precursor, inhibiting its biogenesis, derepressing downstream targets, and triggering apoptosis in breast cancer cells. MIR96-IN-1 binds to RNAs with Kds of 1.3, 9.4, 3.4, 1.3 and 7.4 μM for RNA1, RNA2, RNA3, RNA4 and RNA5, respectively[1]. MIR96-IN-1 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. It can also undergo strain-promoted alkyne-azide cycloaddition (SPAAC) reactions with molecules containing DBCO or BCN groups.
CAS Number
1311982-88-3
UNSPSC
12352005
Target
Apoptosis; MicroRNA
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/MIR96-IN-1.html
Purity
99.57
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(NCCCN=[N+]=[N-])CCCOC1=C(C(C)(C)C)C=C(C2=NC3=CC=C(N4CCN(C)CC4)C=C3N2)C=C1C(C)(C)C
Molecular Formula
C33H48N8O2
Molecular Weight
588.79
References & Citations
[1]Sai Pradeep Velagapudi, et al. 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]Christopher L Haga, et al. 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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(3-Azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)phenoxy)butanamide
CAS Number1311982-88-3
PubChem CID72699186
IUPAC NameN-(3-azidopropyl)-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
Molecular FormulaC33H48N8O2
Molecular Weight588.8
XLogP7.3
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity910
SMILES
CC(C)(C)C1=CC(=CC(=C1OCCCC(=O)NCCCN=[N+]=[N-])C(C)(C)C)C2=NC3=C(N2)C=C(C=C3)N4CCN(CC4)C
InChI
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)
InChIKey
LTPQCIXFOJELHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Azidopropyl)-4-(2,6-di-tert-butyl-4-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)phenoxy)butanamide
CAS: 1311982-88-3
CID: 72699186
Formula: C33H48N8O2
MW: 588.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.8
XLogP37.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass588.39002280
Monoisotopic Mass588.39002280
Topological Polar Surface Area87.9 Ų
Heavy Atom Count43
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA3076-5.1MIR96-IN-1
A20926-10MIR96-IN-1 10mg
A20926-5MIR96-IN-1 5mg
A20926-50MIR96-IN-1 50mg
A20926-100MIR96-IN-1 100mg
A20926-25MIR96-IN-1 25mg
A20926-1MIR96-IN-1 1mg
A20926-10mM-DMIR96-IN-1 10mM * 1mL in DMSO
SC400703MIR96 Human MicroRNA Expression Plasmid (MI0000098)
HP300629MIR96 Human qPCR Primer Pair (MI0000098)

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