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AP-C2

CAT: 0804-HY-153538-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153538-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AP-C2 is a potent guanosine 3',5'-cyclic monophosphate (cGMP) -dependent protein kinase II (cGKII) inhibitor with a pIC50 of 5.2[1].
CAS Number
682793-07-3
UNSPSC
12352005
Target
Ser/Thr Protease
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ap-c2.html
Solubility
10 mM in DMSO
Smiles
C1(C2=CC=CS2)=CC=NC(NCCC3=CNC4=C3C=CC=C4)=N1
Molecular Formula
C18H16N4S
Molecular Weight
320.41
References & Citations
[1]Marcel J C Bijvelds, et al. Selective inhibition of intestinal guanosine 3',5'-cyclic monophosphate signaling by small-molecule protein kinase inhibitors. J Biol Chem. 2018 May 25;293 (21) :8173-8181.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrimidin-2-amine
CAS Number682793-07-3
PubChem CID168476127
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrimidin-2-amine
Molecular FormulaC18H16N4S
Molecular Weight320.4
XLogP4
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity380
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=NC=CC(=N3)C4=CC=CS4
InChI
InChI=1S/C18H16N4S/c1-2-5-15-14(4-1)13(12-21-15)7-9-19-18-20-10-8-16(22-18)17-6-3-11-23-17/h1-6,8,10-12,21H,7,9H2,(H,19,20,22)
InChIKey
ZIHUVIWSMDMZOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-ylpyrimidin-2-amine
CAS: 682793-07-3
CID: 168476127
Formula: C18H16N4S
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass320.10956770
Monoisotopic Mass320.10956770
Topological Polar Surface Area81.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity380
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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