U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H27NO2S
Molecular Weight 441.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HX-630

SMILES

CC1(C)CCC(C)(C)C2=C1C=C3SC4=CC=CC=C4N=C(C5=CC=C(C=C5)C(O)=O)C3=C2

InChI

InChIKey=PFGCWQPTOKPRRK-UHFFFAOYSA-N
InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)

HIDE SMILES / InChI
Molecular Formula C28H27NO2S
Molecular Weight 441.584
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/26714014 https://www.ncbi.nlm.nih.gov/pubmed/24916544

HX630 is a synthetic RXR pan-agonist. HX-630 has bein shown to exert anti-proliferative and pro-apoptotic effects in murine pituitary corticotroph tumor AtT20 cells, making HX-630 a new therapeutic candidate for Cushing’s disease. It might also serve as potential pharmacological tool for treating retina degenerative diseases and Alzheimer's disease.

Originator

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Agonist
2678
Agonist
2678
 900.0 nM [Ki]
Agonist
2678
 400.0 nM [Ki]
Agonist
2678
 620.0 nM [Ki]
Agonist
2678
 320.0 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Basic research
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Action mechanism of retinoid-synergistic dibenzodiazepines.
1997 Apr 7
Regulation of retinoidal actions by diazepinylbenzoic acids. Retinoid synergists which activate the RXR-RAR heterodimers.
1997 Dec 19
9-cis-Retinoic acid (9cRA), a retinoid X receptor (RXR) ligand, exerts immunosuppressive effects on dendritic cells by RXR-dependent activation: inhibition of peroxisome proliferator-activated receptor gamma blocks some of the 9cRA activities, and precludes them to mature phenotype development.
2007 May 15
The ATRA-dependent overexpression of the glutamate transporter EAAC1 requires RARbeta induction.
2009 Sep
Patents

Patents

20100120742
1

Sample Use Guides

In Vivo Use Guide
Mice: 5 mg/kg/day, injected intraperitonealy 3 times a week for 3 weeks
Route of Administration: Intraperitoneal
In Vitro Use Guide
HX-630 significantly suppressed AtT20 cell proliferation at 10 uμM
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:00:08 GMT 2023
Edited
by admin
on Sat Dec 16 09:00:08 GMT 2023
Record UNII
N564S742U1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HX-630
Common Name English
BENZOIC ACID, 4-(7,8,9,10-TETRAHYDRO-7,7,10,10-TETRAMETHYLBENZO(B)NAPHTHO(2,3-F)(1,4)THIAZEPIN-12-YL)-
Systematic Name English
Code System Code Type Description
CAS
188844-52-2
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID80172254
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY
PUBCHEM
9889522
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY
FDA UNII
N564S742U1
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY
Related Record Type Details
Structure of HX-630
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966