2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CHEBI:156534)

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CHEBI:156534 - 2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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ChEBI ID	CHEBI:156534
ChEBI Name	2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Stars
ASCII Name	2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Definition	A member of the class of chromenes that is 2H-chromene substituted at positions 2,3,6 and 8 by phenyl, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl, chloro and chloro groups, respectively. It is a potent retinoic acid receptor α agonist (Kd = 14nM) designed for the treatment of kidney disease.
Last Modified	22 October 2020
Submitter	slaulederkind
Downloads	Molfile

Formula	C29H27BCl2O3
Net Charge	0
Average Mass	505.250
Monoisotopic Mass	504.14303
SMILES	CC1(C)OB(c2ccc(/C=C/C3=Cc4cc(Cl)cc(Cl)c4OC3c3ccccc3)cc2)OC1(C)C
InChI	InChI=1S/C29H27BCl2O3/c1-28(2)29(3,4)35-30(34-28)23-14-11-19(12-15-23)10-13-21-16-22-17-24(31)18-25(32)27(22)33-26(21)20-8-6-5-7-9-20/h5-18,26H,1-4H3/b13-10+
InChIKey	NLWWGBDFLKSQIM-JLHYYAGUSA-N

Roles Classification

Biological Role:	retinoic acid receptor alpha/beta agonist Any retinoic acid receptor (RAR) agonist with specificity for RARα and RARβ.
Application:	retinoic acid receptor alpha/beta agonist Any retinoic acid receptor (RAR) agonist with specificity for RARα and RARβ.

ChEBI Ontology

Outgoing Relation(s)
	2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CHEBI:156534) has role retinoic acid receptor α/β agonist (CHEBI:50741)
	2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CHEBI:156534) is a benzenes (CHEBI:22712)
	2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CHEBI:156534) is a boronate ester (CHEBI:50979)
	2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CHEBI:156534) is a chromenes (CHEBI:23232)
	2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CHEBI:156534) is a olefinic compound (CHEBI:78840)
	2-[4-[(E)-2-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)ethenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CHEBI:156534) is a organochlorine compound (CHEBI:36683)

IUPAC Name
6,8-dichloro-2-phenyl-3-{(E)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}-2H-chromene

Synonyms	Source
BD4	SUBMITTER
BJ1	SUBMITTER
6,8-dichloro-2-phenyl-3-{(E)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethenyl}-2H-1-benzopyran	IUPAC
BJ-1	ChEBI
BD-4	ChEBI

Manual Xrefs	Databases
US2019249259	Patent

Citations