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ONO-8711

CAT: 0013-GTR19202479-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202479-02Size:100 mg
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Description
ONO-8711 is a highly potent and selective competitive antagonist of the EP1 receptor, demonstrating Kis of 0.6 nM (human) and 1.7 nM (mouse) . It has been shown in preclinical studies to significantly reduce tumor incidence and multiplicity in mouse models of colon, breast, and oral cancers.
CAS Number
216158-34-8
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (NS (=O) (=O) C1=C (C) C=C (Cl) C=C1) [C@@H]2[C@@H] (/C=C\CCCC (O) =O) C3CCC2CC3
Molecular Formula
C22H30ClNO4S
Molecular Weight
440
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ono-8711

a prostaglandin E receptor EP1 antagonist; structure in first source

CAS Number216158-34-8
PubChem CID9824507
IUPAC Name(Z)-6-[(2R,3S)-3-[[(4-chloro-2-methylphenyl)sulfonylamino]methyl]-2-bicyclo[2.2.2]octanyl]hex-5-enoic acid
Molecular FormulaC22H30ClNO4S
Molecular Weight440.0
XLogP5.2
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity681
SMILES
CC1=C(C=CC(=C1)Cl)S(=O)(=O)NC[C@@H]2[C@H](C3CCC2CC3)/C=C\CCCC(=O)O
InChI
InChI=1S/C22H30ClNO4S/c1-15-13-18(23)11-12-21(15)29(27,28)24-14-20-17-9-7-16(8-10-17)19(20)5-3-2-4-6-22(25)26/h3,5,11-13,16-17,19-20,24H,2,4,6-10,14H2,1H3,(H,25,26)/b5-3-/t16?,17?,19-,20-/m0/s1
InChIKey
VVEXPDRCGCQELD-CFDZEDGGSA-N
Chemical Structure
2D Structure
2D structure of Ono-8711
CAS: 216158-34-8
CID: 9824507
Formula: C22H30ClNO4S
MW: 440.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.0
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass439.1584073
Monoisotopic Mass439.1584073
Topological Polar Surface Area91.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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