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PROTAC ERRα ligand 2 - 99%, high purity , CAS No.2306388-57-6

Grade & Purity:

≥99%

Cas Number: 2306388-57-6
Molecular Weight: 445.3
PubChem CID: 139291005

In stock

Item Number

P648563

Grouped product items
SKU	Size	Availability	Price
P648563-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$180.90
P648563-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$250.90
P648563-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$490.90
P648563-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$720.90
P648563-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,200.90

View related series

Estrogen Receptor/ERR (213) Vitamin D Related/Nuclear Receptor (907)

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	PROTAC ERRα ligand 2 is an estrogen-related receptor α ( ERRα ) inverse agonist with an IC 50 of 5.67 nM. PROTAC ERRα ligand 2 (IC 50 =5.67 nM) displays a ~11-fold improved potency than XCT790 (IC 50 =61.3 nM).
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	PROTAC ERRα ligand 2 is an estrogen-related receptor α ( ERRα ) inverse agonist with an IC 50 of 5.67 nM. PROTAC ERRα ligand 2 (IC 50 =5.67 nM) displays a ~11-fold improved potency than XCT790 (IC 50 =61.3 nM). Form:Solid

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Coumaric acids and derivatives
Alternative Parents	Cinnamic acids Trifluoromethylbenzenes Phenoxy compounds Methoxybenzenes Anisoles Halogenated fatty acids Branched fatty acids Alkyl aryl ethers Unsaturated fatty acids Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Coumaric acid or derivatives - Cinnamic acid - Trifluoromethylbenzene - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Halogenated fatty acid - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoic acid
INCHI	InChI=1S/C20H13F6NO4/c1-30-17-7-11(6-13(9-27)18(28)29)2-5-16(17)31-10-12-3-4-14(19(21,22)23)8-15(12)20(24,25)26/h2-8H,10H2,1H3,(H,28,29)/b13-6+
InChIKey	JRWKJGIKIBTXMV-AWNIVKPZSA-N
Smiles	COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F
Isomeric SMILES	COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)O)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F
PubChem CID	139291005
Molecular Weight	445.3

Solubility	DMSO : 62.5 mg/mL (140.35 mM; Need ultrasonic)
Molecular Weight	445.300 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	445.075 Da
Monoisotopic Mass	445.075 Da
Topological Polar Surface Area	79.600 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	711.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

PROTAC ERRα ligand 2 - 99%, high purity , CAS No.2306388-57-6

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