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KTX-005

CAT: 0804-HY-173031Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-173031Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KTX-005 is the agonist for mAChR that regulates the signaling pathway of the neurotransmitter acetylcholine, and can be used for research of schizophrenia[1].
CAS Number
162182-77-6
UNSPSC
12352005
Target
MAChR
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
CCCCSC1=NSN=C1[C@H]2C[N@@]3CCC[C@H]2C3
Molecular Formula
C13H21N3S2
Molecular Weight
283.46
References & Citations
[1]Zheng H, et al. Development and Scale-Up of an Enabling Synthetic Route to KTX-005, a Muscarinic Acetylcholine Receptor Agonist for the Potential Treatment of Schizophrenia[J]. Organic Process Research & Development, 2025.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane
CAS Number162182-77-6
PubChem CID9835489
IUPAC Name3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-butylsulfanyl-1,2,5-thiadiazole
Molecular FormulaC13H21N3S2
Molecular Weight283.5
XLogP3.1
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity277
SMILES
CCCCSC1=NSN=C1[C@H]2CN3CCC[C@H]2C3
InChI
InChI=1S/C13H21N3S2/c1-2-3-7-17-13-12(14-18-15-13)11-9-16-6-4-5-10(11)8-16/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKey
CZKNQABKYRAKQE-QWRGUYRKSA-N
Chemical Structure
2D Structure
2D structure of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane
CAS: 162182-77-6
CID: 9835489
Formula: C13H21N3S2
MW: 283.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass283.11769003
Monoisotopic Mass283.11769003
Topological Polar Surface Area82.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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