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YS-49

CAT: 1568-C01362-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01362-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132836-42-1
SKU
C01362-5mg
Target
PI3K
Applications
PI3K/Akt/mTOR
Smiles
Br.OC1=CC2=C (C=C1O) C (CC3=C4C=CC=CC4=CC=C3) NCC2
Additionnal Information
YS-49 is a PI3K/Akt (a downstream target of RhoA) activator, to reduce RhoA/PTEN activation in the 3-methylcholanthrene-treated cells, inhibits angiotensin II (Ang II) -stimulated proliferation of VSMCs via induction of heme oxygenase (HO) -1, also is an isoquinoline compound alkaloid, has a strong positive inotropic action through activation of cardiac β-adrenoceptors.
Storage Conditions
3 years -20°C powder

Chemical Information

YS-49

structure given in first source

CAS Number132836-42-1
PubChem CID10249534
IUPAC Name1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
Molecular FormulaC20H20BrNO2
Molecular Weight386.3
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity401
SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=CC4=CC=CC=C43.Br
InChI
InChI=1S/C20H19NO2.BrH/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14;/h1-7,11-12,18,21-23H,8-10H2;1H
InChIKey
JXFRKNGQHAAJKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YS-49
CAS: 132836-42-1
CID: 10249534
Formula: C20H20BrNO2
MW: 386.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass385.06774
Monoisotopic Mass385.06774
Topological Polar Surface Area52.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes