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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18Cl2O4
Molecular Weight 369.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LL-340001

SMILES

CC(C)C1=C(O)C=CC(CC2=C(Cl)C=C(OCC(O)=O)C=C2Cl)=C1

InChI

InChIKey=DRXFTZNITLYKQA-UHFFFAOYSA-N
InChI=1S/C18H18Cl2O4/c1-10(2)13-5-11(3-4-17(13)21)6-14-15(19)7-12(8-16(14)20)24-9-18(22)23/h3-5,7-8,10,21H,6,9H2,1-2H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C18H18Cl2O4
Molecular Weight 369.239
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:22:37 UTC 2023
Edited
by admin
on Sat Dec 16 18:22:37 UTC 2023
Record UNII
YNY8RD8MYN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LL-340001
Code English
JD-21
Code English
ACETIC ACID, 2-(3,5-DICHLORO-4-((4-HYDROXY-3-(1-METHYLETHYL)PHENYL)METHYL)PHENOXY)-
Systematic Name English
2-(3,5-DICHLORO-4-((4-HYDROXY-3-(1-METHYLETHYL)PHENYL)METHYL)PHENOXY)ACETIC ACID
Systematic Name English
JD21
Code English
2-(3,5-DICHLORO-4-((3-ISOPROPYL-4-HYDROXYPHENYL)METHYL)-PHENOXYLACETIC ACID)
Systematic Name English
Code System Code Type Description
FDA UNII
YNY8RD8MYN
Created by admin on Sat Dec 16 18:22:37 UTC 2023 , Edited by admin on Sat Dec 16 18:22:37 UTC 2023
PRIMARY
CAS
2046137-49-7
Created by admin on Sat Dec 16 18:22:37 UTC 2023 , Edited by admin on Sat Dec 16 18:22:37 UTC 2023
PRIMARY
PUBCHEM
132145547
Created by admin on Sat Dec 16 18:22:37 UTC 2023 , Edited by admin on Sat Dec 16 18:22:37 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Increased ABCD2 gene expression by 10-fold in X-ALD fibroblasts (4 nm)
EC50
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
ABX-002 enhanced delivery of LL-340001 to the brain by 30x and induced T3-dependent gene expression in the brain and liver at 13 μg/kg p.o.