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MS012

CAT: 0804-HY-114628-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114628-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MS012 is a selective GLP inhibitor (IC50=7 nM) . MS012 can be used in research of GLP dysregulation, including cancer, inflammatory diseases, and neuroregenerative disorders[1].
CAS Number
2089617-83-2
UNSPSC
12352005
Target
GLP Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ms012.html
Purity
98.9
Solubility
10 mM in DMSO
Smiles
COC1=CC2=NC(NCCCCCC)=NC(NC3CCN(CC3)C)=C2C=C1OC
Molecular Formula
C22H35N5O2
Molecular Weight
401.55
References & Citations
[1]Xiong Y, et al. Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J Med Chem. 2017 Mar 9;60 (5) :1876-1891.
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

N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CAS Number2089617-83-2
PubChem CID137348638
IUPAC Name2-N-hexyl-6,7-dimethoxy-4-N-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Molecular FormulaC22H35N5O2
Molecular Weight401.5
XLogP5
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity460
SMILES
CCCCCCNC1=NC2=CC(=C(C=C2C(=N1)NC3CCN(CC3)C)OC)OC
InChI
InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)
InChIKey
ZYNUWSFRZCRKSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CAS: 2089617-83-2
CID: 137348638
Formula: C22H35N5O2
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass401.27907538
Monoisotopic Mass401.27907538
Topological Polar Surface Area71.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity460
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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