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MicroRNA modulator-1

CAT: 0804-HY-164053-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-164053-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MicroRNA modulator-1 (TABLE4 compound 1) is an oxadiazole miR-21 inhibitor with an AC50 of 14.64 μM[1].
CAS Number
756865-61-9
UNSPSC
12352005
Target
MicroRNA
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/microrna-modulator-1.html
Purity
99.58
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(NC1CCCCCC1)/C=C/C2=CC=C(C(S(=O)(N3CCOCC3)=O)=C2)OC
Molecular Formula
C21H30N2O5S
Molecular Weight
422.54
References & Citations
[1]Microrna modulators and method for identifying and using the same. United States. US20100196357A1. 2010-08-05.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

MicroRNA modulator-1
CAS Number756865-61-9
PubChem CID5967303
IUPAC Name(E)-N-cycloheptyl-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
Molecular FormulaC21H30N2O5S
Molecular Weight422.5
XLogP2.7
Topological Polar Surface Area93.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity646
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NC2CCCCCC2)S(=O)(=O)N3CCOCC3
InChI
InChI=1S/C21H30N2O5S/c1-27-19-10-8-17(9-11-21(24)22-18-6-4-2-3-5-7-18)16-20(19)29(25,26)23-12-14-28-15-13-23/h8-11,16,18H,2-7,12-15H2,1H3,(H,22,24)/b11-9+
InChIKey
PARIQLKLGNMTST-PKNBQFBNSA-N
Chemical Structure
2D Structure
2D structure of MicroRNA modulator-1
CAS: 756865-61-9
CID: 5967303
Formula: C21H30N2O5S
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass422.18754324
Monoisotopic Mass422.18754324
Topological Polar Surface Area93.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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