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ASP8302

CAT: 0804-HY-160888-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-160888-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ASP8302 is a positive and allosteric muscarinic M3 receptor modulator. ASP8302 improves voiding efficiency and reduced residual urine volume in two voiding dysfunction models. ASP8302 can be used for research of underactive bladder[1][2].
CAS Number
1839583-42-4
UNSPSC
12352005
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/asp8302.html
Purity
98.95
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=NC=C(N2C[C@@H](N(CC2)CCC(O)=O)C)N=C1)NC(S3)=NC(C4=CC(Cl)=CS4)=C3CN5[C@@H](CCC5)C
Molecular Formula
C26H32ClN7O3S2
Molecular Weight
590.16
References & Citations
[1]Okimoto R, et al. Potentiation of Muscarinic M3 Receptor Activation through a New Allosteric Site with a Novel Positive Allosteric Modulator ASP8302. J Pharmacol Exp Ther. 2021 Oct;379 (1) :64-73. |[2]Okimoto R, et al. Muscarinic M3 positive allosteric modulator ASP8302 enhances bladder contraction and improves voiding dysfunction in rats. Low Urin Tract Symptoms. 2022 Jul;14 (4) :289-300.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
MAChR3

Chemical Information

CID 126741248
CAS Number1839583-42-4
PubChem CID126741248
IUPAC Name3-[(2S)-4-[5-[[4-(4-chlorothiophen-2-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]-2-methylpiperazin-1-yl]propanoic acid
Molecular FormulaC26H32ClN7O3S2
Molecular Weight590.2
XLogP1
Topological Polar Surface Area171
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity862
SMILES
C[C@@H]1CCCN1CC2=C(N=C(S2)NC(=O)C3=CN=C(C=N3)N4CCN([C@H](C4)C)CCC(=O)O)C5=CC(=CS5)Cl
InChI
InChI=1S/C26H32ClN7O3S2/c1-16-4-3-6-33(16)14-21-24(20-10-18(27)15-38-20)30-26(39-21)31-25(37)19-11-29-22(12-28-19)34-9-8-32(17(2)13-34)7-5-23(35)36/h10-12,15-17H,3-9,13-14H2,1-2H3,(H,35,36)(H,30,31,37)/t16-,17+/m1/s1
InChIKey
QEVOTPLHYBIHKJ-SJORKVTESA-N
Chemical Structure
2D Structure
2D structure of CID 126741248
CAS: 1839583-42-4
CID: 126741248
Formula: C26H32ClN7O3S2
MW: 590.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.2
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass589.1696579
Monoisotopic Mass589.1696579
Topological Polar Surface Area171 Ų
Heavy Atom Count39
Formal Charge0
Complexity862
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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