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MPH-220

CAT: 0013-GTR19212110-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212110-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MPH-220 is a selective, orally bioavailable inhibitor of skeletal muscle myosin-2, promoting muscle relaxation. It serves as a valuable research tool for investigating spasticity and muscle stiffness in both in vitro biochemical assays and in vivo models of hypertonia.
CAS Number
2649776-79-2
Field of Research
Immunology & Inflammation, Signal Transduction
Smiles
O[C@]12C (N (CC1) C3=CC=C (C=C3) N4CCOCC4) =NC5=C (C2=O) C=C (C) S5
Molecular Formula
C20H21N3O3S
Molecular Weight
383.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one
CAS Number2649776-79-2
PubChem CID155511990
IUPAC Name(9S)-9-hydroxy-5-methyl-12-(4-morpholin-4-ylphenyl)-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
Molecular FormulaC20H21N3O3S
Molecular Weight383.5
XLogP2.2
Topological Polar Surface Area93.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity630
SMILES
CC1=CC2=C(S1)N=C3[C@](C2=O)(CCN3C4=CC=C(C=C4)N5CCOCC5)O
InChI
InChI=1S/C20H21N3O3S/c1-13-12-16-17(24)20(25)6-7-23(19(20)21-18(16)27-13)15-4-2-14(3-5-15)22-8-10-26-11-9-22/h2-5,12,25H,6-11H2,1H3/t20-/m1/s1
InChIKey
KUIAFBSRBMWQQP-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one
CAS: 2649776-79-2
CID: 155511990
Formula: C20H21N3O3S
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass383.13036271
Monoisotopic Mass383.13036271
Topological Polar Surface Area93.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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