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YM758

CAT: 0804-HY-U00309-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00309-01Size:5 mg
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Description
YM758 is a "funny" If current channel (If channel) inhibitor.
CAS Number
312752-85-5
UNSPSC
12352005
Target
HCN Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/YM758.html
Concentration
10mM
Purity
99.71
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C([C@H]1CN(CCC1)CCNC(C2=CC=C(F)C=C2)=O)N3CC4=CC(OC)=C(OC)C=C4CC3
Molecular Formula
C26H32FN3O4
Molecular Weight
469.55
References & Citations
Fff
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

YM-758

an If channel inhibitor; structure in first source

CAS Number312752-85-5
PubChem CID9894205
IUPAC NameN-[2-[(3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-4-fluorobenzamide
Molecular FormulaC26H32FN3O4
Molecular Weight469.5
XLogP2.8
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity687
SMILES
COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3CCCN(C3)CCNC(=O)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C26H32FN3O4/c1-33-23-14-19-9-12-30(17-21(19)15-24(23)34-2)26(32)20-4-3-11-29(16-20)13-10-28-25(31)18-5-7-22(27)8-6-18/h5-8,14-15,20H,3-4,9-13,16-17H2,1-2H3,(H,28,31)/t20-/m1/s1
InChIKey
MWLKUSHZNSYRKK-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of YM-758
CAS: 312752-85-5
CID: 9894205
Formula: C26H32FN3O4
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass469.23768467
Monoisotopic Mass469.23768467
Topological Polar Surface Area71.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity687
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

Alternative Products

CatalogName
M26513-01YM758
MBS5778849YM758 Phosphate

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