YM758

CAT: 0804-HY-U00309-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-U00309-03Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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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 Number	312752-85-5
PubChem CID	9894205
IUPAC Name	N-[2-[(3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-4-fluorobenzamide
Molecular Formula	C26H32FN3O4
Molecular Weight	469.5
XLogP	2.8
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	687

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

CAS: 312752-85-5

CID: 9894205

Formula: C26H32FN3O4

MW: 469.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	469.5
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	469.23768467
Monoisotopic Mass	469.23768467
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	687
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
M26513-01	YM758
MBS5778849	YM758 Phosphate

YM758

Chemical Information

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