2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-methylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acid
- Iupac Name：2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
- CAS No.: 317318-70-0
- Molecular Weight：453.494
- Modify Date.: 2022-11-22 17:05
- Introduction: An experimental drug meant to control lipids and increase the level of HDL, or good cholesterol, in the bloodstream.A cell-permeable, thiazolyl compound that acts as a potent, high affinity, PPARd agonist. Exhibits selectivity for PPARd compared t
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1. Names and Identifiers
- 1.1 Name
- 2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-methylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acid
- 1.2 Synonyms
[2-Methyl-4-[([4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl)thio]phenoxy]acetic acid {2-Methyl-4-[4-Methyl-2-(4-trifluoroMethyl-phenyl)-thiazol-5-ylMethylsulfanyl]-phenoxy}-acetic acid 2-(4-((2-(4-(Trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylthio)-2-methylphenoxy)acetic a 2-(4-((2-(4-(Trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylthio)-2-methylphenoxy)acetic acid 2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]acetic acid 2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methyl]thio]phenoxy]acetic acid 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid Acetic acid, [2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]- Acetic acid, 2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]- Cardarine(GW501516, GSK-516) CB6465728 ENDUROBOL (GW-501516)/CARDARINE/ GW 1516 GW 501516 GW-501615
- 1.3 CAS No.
- 317318-70-0
- 1.4 CID
- 9803963
- 1.5 EINECS(EC#)
- 1592732-453-0
- 1.6 Molecular Formula
- C21H18F3NO3S2 (isomer)
- 1.7 Inchi
- InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
- 1.8 InChkey
- YDBLKRPLXZNVNB-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O
- 1.10 Isomers Smiles
- CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O
2. Properties
- 2.1 Density
- 1.426
- 2.1 Melting point
- 134-136°C
- 2.1 Boiling point
- 584.543 °C at 760 mmHg
- 2.1 Refractive index
- 1.619
- 2.1 Flash Point
- 307.321 °C
- 2.1 Precise Quality
- 453.06800
- 2.1 PSA
- 112.96000
- 2.1 logP
- 6.20140
- 2.1 Solubility
- DMSO: soluble20mg/mL, clear
- 2.2 Appearance
- white to beige
- 2.3 Storage
- Refrigerator
- 2.4 Chemical Properties
- White Solid
- 2.5 Color/Form
- white to beige
- 2.6 pKa
- 3.17±0.10(Predicted)
- 2.7 Water Solubility
- DMSO: soluble20mg/mL, clear
- 2.8 Stability
- Light Sensitive
- 2.9 StorageTemp
- Refrigerator
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4by p-trifluoromethylphenyl and methyl groups, respectively. 2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-methylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acidSupplier
- 3.2 Usage
- An experimental drug meant to control lipids and increase the level of HDL, or good cholesterol, in the bloodstream.A cell-permeable, thiazolyl compound that acts as a potent, high affinity, PPARd agonist. Exhibits selectivity for PPARd compared t
4. Safety and Handling
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- AI9105500
- 4.1 Specification
-
GW 501516 (CAS NO.317318-70-0) is also named as GW-501516 ; 2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-ethylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acid ; Acetic acid, (2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolyl)methyl)thio)phenoxy)- . GW 501516 (CAS NO.317318-70-0) is white solid.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
7. Computational chemical data
- Molecular Weight: 453.494g/mol
- Molecular Formula: C21H18F3NO3S2
- Compound Is Canonicalized: True
- XLogP3-AA: 5.9
- Exact Mass: 453.06802027
- Monoisotopic Mass: 453.06802027
- Complexity: 572
- Rotatable Bond Count: 7
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Topological Polar Surface Area: 113
- Heavy Atom Count: 30
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB6MYBgAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwQACAAADAyl3hKyj5IIFgisAyTyTAKC+KBhKDgImDx2TJgNJqLksR+GOCjkwBHrqAeQwCAOQIAAgAAIAACBAAEAABAAAAAAAAAAAA==
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9. Realated Product Infomation
![2-[4-(4-methylphenoxy)phenyl]acetic acid](https://structimg.guidechem.com/6/42/1993841.png)
![2-[2-(4-Methylphenoxy)phenyl]acetic acid](https://structimg.guidechem.com/1/13/3255312.png)
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