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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=CC(CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3)=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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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.

Originator

Approval Year

Targets

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

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
200 mpk/day once a day for 14 days.
Route of Administration: Intraperitoneal
In Vitro Use Guide
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
Record UNII
F8GZ6C9MKZ
Record Status Validated (UNII)
Record Version