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NNC 11-1607

CAT: 0804-HY-119333Size: 1 EachDry Ice: NoHazardous: No
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Description
NNC 11-1607 is a selective M1/M4 muscarinic acetylcholine receptor (mAChR) agonist. NNC 11-1607 inhibits Forskolin -stimulated cAMP accumulation in Chinese hamster ovary cells expressing the human M2 or M4 mAChR. NNC 11-1607 is promising for research of central nervous system disorders, such as Alzheimer’s disease and schizophrenia[1].
CAS Number
250649-13-9
UNSPSC
12352005
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/nnc-11-1607.html
Smiles
C1(C#CCOC2=NSN=C2[C@@H]3CN4CCC3CC4)=CC=CC(C#CCOC5=NSN=C5[C@@H]6CN7CCC6CC7)=C1
Molecular Formula
C30H32N6O2S2
Molecular Weight
572.74
References & Citations
[1]Christopoulos A, et al. Synthesis and pharmacological evaluation of dimeric muscarinic acetylcholine receptor agonists. J Pharmacol Exp Ther. 2001 Sep;298 (3) :1260-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Nnc 11-1607
CAS Number250649-13-9
PubChem CID9985526
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[3-[3-[3-[[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazol-3-yl]oxy]prop-1-ynyl]phenyl]prop-2-ynoxy]-1,2,5-thiadiazole
Molecular FormulaC30H32N6O2S2
Molecular Weight572.7
XLogP4.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity929
SMILES
C1CN2CCC1C(C2)C3=NSN=C3OCC#CC4=CC(=CC=C4)C#CCOC5=NSN=C5C6CN7CCC6CC7
InChI
InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2
InChIKey
TYLFZULSDOOCRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nnc 11-1607
CAS: 250649-13-9
CID: 9985526
Formula: C30H32N6O2S2
MW: 572.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.7
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass572.20281663
Monoisotopic Mass572.20281663
Topological Polar Surface Area133 Ų
Heavy Atom Count40
Formal Charge0
Complexity929
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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