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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N4O2S
Molecular Weight 326.373
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RKI-1447

SMILES

OC1=CC(CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3)=CC=C1

InChI

InChIKey=GDVRVPIXWXOKQO-UHFFFAOYSA-N
InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)

HIDE SMILES / InChI

Molecular Formula C16H14N4O2S
Molecular Weight 326.373
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/?term=23275831 | https://www.ncbi.nlm.nih.gov/pubmed/27841867 | DOI:10.3781/j.issn.1000-7431.2015.11.578

RKI 1447 is a potent and selective ROCK inhibitor. It displays anti-invasive and antitumor activities in breast cancer cells. RKI-1447 can inhibit the proliferation, migration and invasion abilities of ovarian cancer cells. RKI 1447 exhibits cytotoxic and cytostatic effects on VHL-deficient clear cell renal cell carcinoma (CC-RCC), making them candidate novel therapeutics for CC-RCC. RKI-1447 significantly inhibited mammary tumor growth in animal models.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
8.0 nM [IC50]
6.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Sources: DOI: 10.3781/j.issn.1000-7431.2015.11.578
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2).
2012 Jun 1
RKI-1447 is a potent inhibitor of the Rho-associated ROCK kinases with anti-invasive and antitumor activities in breast cancer.
2012 Oct 1
Patents

Sample Use Guides

200 mpk/day once a day for 14 days.
Route of Administration: Intraperitoneal
Treatment of MDA-MB-231 cells with RKI-1447 hampered their ability to form soft agar colonies with an IC50 value of 709 nM/L.
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:12:26 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:26 GMT 2023
Record UNII
F8GZ6C9MKZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RKI-1447
Code English
UREA, N-((3-HYDROXYPHENYL)METHYL)-N'-(4-(4-PYRIDINYL)-2-THIAZOLYL)-
Systematic Name English
1-(3-HYDROXYBENZYL)-3-(4-(PYRIDIN-4-YL)THIAZOL-2-YL)UREA
Systematic Name English
N-((3-HYDROXYPHENYL)METHYL)-N'-(4-(4-PYRIDINYL)-2-THIAZOLYL)UREA
Systematic Name English
Code System Code Type Description
MESH
C576956
Created by admin on Sat Dec 16 12:12:26 GMT 2023 , Edited by admin on Sat Dec 16 12:12:26 GMT 2023
PRIMARY
PUBCHEM
60138149
Created by admin on Sat Dec 16 12:12:26 GMT 2023 , Edited by admin on Sat Dec 16 12:12:26 GMT 2023
PRIMARY
CAS
1342278-01-6
Created by admin on Sat Dec 16 12:12:26 GMT 2023 , Edited by admin on Sat Dec 16 12:12:26 GMT 2023
PRIMARY
FDA UNII
F8GZ6C9MKZ
Created by admin on Sat Dec 16 12:12:26 GMT 2023 , Edited by admin on Sat Dec 16 12:12:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID501336679
Created by admin on Sat Dec 16 12:12:26 GMT 2023 , Edited by admin on Sat Dec 16 12:12:26 GMT 2023
PRIMARY
WIKIPEDIA
RKI-1447
Created by admin on Sat Dec 16 12:12:26 GMT 2023 , Edited by admin on Sat Dec 16 12:12:26 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR