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Ro 09-0680

CAT: 0804-HY-111247-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111247-01Size:1 mg
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Description
Ro 09-0680 is a potent inhibitor of rabbit platelet aggregation induced by Collagen with an IC50 of 6.6 μM[1].
CAS Number
87112-49-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/ro-09-0680.html
Purity
98.87
Solubility
DMSO : 1.79 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
O=C1C(C(C)C)=CC2=C(C3=C(C=C2)C(C)=CC=C3)C1=O
Molecular Formula
C18H16O2
Molecular Weight
264.32
References & Citations
[1]M Onitsuka, et al.New platelet aggregation inhibitors from Tan-Shen; radix of Salvia miltiorrhiza Bunge. Chem Pharm Bull (Tokyo) . 1983 May;31 (5) :1670-5.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-Isopropyl-8-methylphenanthrene-3,4-dione

Ro 09-0680 has been reported in Salvia miltiorrhiza, Salvia glutinosa, and Salvia trijuga with data available.

CAS Number87112-49-0
PubChem CID135872
IUPAC Name8-methyl-2-propan-2-ylphenanthrene-3,4-dione
Molecular FormulaC18H16O2
Molecular Weight264.3
XLogP4.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity460
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3)C(C)C
InChI
InChI=1S/C18H16O2/c1-10(2)15-9-12-7-8-13-11(3)5-4-6-14(13)16(12)18(20)17(15)19/h4-10H,1-3H3
InChIKey
SLTQYODWMZBDPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Isopropyl-8-methylphenanthrene-3,4-dione
CAS: 87112-49-0
CID: 135872
Formula: C18H16O2
MW: 264.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.3
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass264.115029749
Monoisotopic Mass264.115029749
Topological Polar Surface Area34.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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