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104561-41-3

104561-41-3 Structure

104561-41-3 Structure
IdentificationBack Directory
[Name]

4-[2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)-benzoicacid
[CAS]

104561-41-3
[Synonyms]

EC 23
BASF-46928
OQVLOWLEEHYBJH-UHFFFAOYSA-N
4-[2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)-benzoicacid
Benzoic acid, 4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl]-
[Molecular Formula]

C23H24O2
[MDL Number]

MFCD18086921
[MOL File]

104561-41-3.mol
[Molecular Weight]

332.44
Chemical PropertiesBack Directory
[Melting point ]

254-256 °C(Solv: acetonitrile (75-05-8))
[Boiling point ]

484.7±45.0 °C(Predicted)
[density ]

1.15±0.1 g/cm3(Predicted)
[storage temp. ]

Store at +4°C
[solubility ]

DMF: 5 mg/ml; DMSO: 5 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 1 mg/ml
[form ]

White to off-white lyophilised amorphous solid.
[pka]

4.10±0.10(Predicted)
[color ]

Off-white to light yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS08
[Signal word ]

Warning
[Hazard statements ]

H361d
[Precautionary statements ]

P201-P202-P280-P308+P313-P405-P501
Hazard InformationBack Directory
[Uses]

EC 23 is an ATRA analog with similar activity. EC 23 potently induces neural differentiation in human pluripotent embryonic stem cells.
[Biological Activity]

EC23 is a syntheticphotostable all-trans retinoic acid (ATRA) analog/mimetic th at targets RAR with greater affinity than ATRA (RARα/β/γ EC50 by cell-free TR-FRET binding assay = 3.7/3.3/16.8 with EC23 vs. 16.0/17.6/14.7 nM with ATRA) and does not bind retinoid x receptors (RXRs). EC23 induces differentiation of human pluripotent embryonic stem cells (0.1-10 μM) with a similar or better efficiency than ATRA.
[storage]

+4°C
Spectrum DetailBack Directory
[Spectrum Detail]

4-[2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl)-benzoicacid(104561-41-3)1HNMR
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