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Timapiprant Sodium

CAT: 1568-C01381-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01381-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
950688-14-9
Synonyms
OC000459 sodium
Target
Prostaglandin Receptor
Applications
GPCR & G Protein
Smiles
[NaH].CC1=C (CC2=NC3=C (C=CC=C3) C=C2) C4=CC (=CC=C4[N]1CC (O) =O) F
Molecular Formula
C21H17FN2O2.Na
Additionnal Information
Timapiprant sodium (OC000459 sodium), a potent, selective, and orally active D prostanoid receptor 2 (DP2, also known as CRTH2) antagonist, potently displaces [3H]PGD2 from human recombinant DP2, rat recombinant DP2, and human native DP2 with Ki values of 13, 3 and 4 nM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Timapiprant sodium
CAS Number950688-14-9
PubChem CID24743480
IUPAC Namesodium 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetate
Molecular FormulaC21H16FN2NaO2
Molecular Weight370.4
Topological Polar Surface Area58
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity522
SMILES
CC1=C(C2=C(N1CC(=O)[O-])C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3.[Na+]
InChI
InChI=1S/C21H17FN2O2.Na/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26;/h2-10H,11-12H2,1H3,(H,25,26);/q;+1/p-1
InChIKey
XKRNYIKRDAGPQZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Timapiprant sodium
CAS: 950688-14-9
CID: 24743480
Formula: C21H16FN2NaO2
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass370.10935020
Monoisotopic Mass370.10935020
Topological Polar Surface Area58 Ų
Heavy Atom Count27
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
E0809-5mgTimapiprant Sodium
HY-15342A-01Timapiprant (sodium)
A21883-100Timapiprant sodium 100mg
A21883-10Timapiprant sodium 10mg
A21883-50Timapiprant sodium 50mg
A21883-25Timapiprant sodium 25mg
A21883-5Timapiprant sodium 5mg
A21883-2Timapiprant sodium 2mg
A21883-10mM-DTimapiprant sodium 10mM * 1mL in DMSO
HY-15342-01Timapiprant

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