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Troponin modulator 1

CAT: 0804-HY-176041Size: 1 EachDry Ice: NoHazardous: No
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Description
Troponin modulator 1 (compound 7) modulates the mutant cardiac muscle thin filament function. Troponin modulator 1 enhances Ca2+ sensitivity by phosphorylation with an EC50 of 67 μM [1].
CAS Number
1448792-38-8
UNSPSC
12352005
Target
Calcium Channel
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Cardiovascular Disease
Smiles
O=C(C1=CC=C(C=C1)OC)OC2COC3=C(C2)C(OC)=CC(OC)=C3
Molecular Formula
C19H20O6
Molecular Weight
344.36
References & Citations
[1]Zeyu Yang, et al. 5,7-Dimethoxychroman-3-yl 4-methoxybenzoate Has a Unique Effect upon the Modulation of Mutant Cardiac Muscle Thin Filament Function and Dynamics due to Phosphorylation of Troponin I. ACS Pharmacology & Translational Science. 2025, 4,15.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl) 4-methoxybenzoate
CAS Number1448792-38-8
PubChem CID72192527
IUPAC Name(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl) 4-methoxybenzoate
Molecular FormulaC19H20O6
Molecular Weight344.4
XLogP3.5
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity434
SMILES
COC1=CC=C(C=C1)C(=O)OC2CC3=C(C=C(C=C3OC)OC)OC2
InChI
InChI=1S/C19H20O6/c1-21-13-6-4-12(5-7-13)19(20)25-15-8-16-17(23-3)9-14(22-2)10-18(16)24-11-15/h4-7,9-10,15H,8,11H2,1-3H3
InChIKey
UMKCSAIMUWELPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl) 4-methoxybenzoate
CAS: 1448792-38-8
CID: 72192527
Formula: C19H20O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass344.12598835
Monoisotopic Mass344.12598835
Topological Polar Surface Area63.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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