65208
(S)-(+)-α-Methoxyphenylacetic acid
derivatization grade (chiral), ≥99.0%
Synonym(s):
O-Methyl-L-mandelic acid
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About This Item
Linear Formula:
C6H5CH(OCH3)CO2H
CAS Number:
Molecular Weight:
166.17
EC Number:
247-492-5
UNSPSC Code:
12352200
PubChem Substance ID:
Beilstein/REAXYS Number:
2361718
MDL number:
Assay:
≥99.0% (T), ≥99.0%
Form:
solid
grade
derivatization grade (chiral)
assay
≥99.0% (T), ≥99.0%
form
solid
optical activity
[α]20/D +149±2°, c = 0.5% in ethanol
optical purity
enantiomeric ratio: ≥99.5:0.5 (GC)
mp
64-66 °C (lit.), 64-67 °C
storage temp.
2-8°C
SMILES string
CO[C@H](C(O)=O)c1ccccc1
InChI
1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/t8-/m0/s1
InChI key
DIWVBIXQCNRCFE-QMMMGPOBSA-N
Application
Reactant involved in the synthesis of biologically active molecules including:
Reactant involved in studies of immunostimulating chromanones gonytolides A-C
Reactant involved in:
- Acyclonucleoside phosphonates structural analogs of adefovir
- Labeled discodermolide for studying binding to tubulin
- 10-Isocyano-4-cadinene used for antifouling activity
Reactant involved in studies of immunostimulating chromanones gonytolides A-C
Reactant involved in:
- Hydroxylations and epoxidations
- Hydrogenations
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Radoslaw Laufer et al.
Bioorganic & medicinal chemistry, 22(17), 4968-4997 (2014-07-22)
TTK kinase was identified by in-house siRNA screen and pursued as a tractable, novel target for cancer treatment. A screening campaign and systematic optimization, supported by computer modeling led to an indazole core with key sulfamoylphenyl and acetamido moieties at