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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29N3O3
Molecular Weight 431.5268
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIRBANIBULIN

SMILES

O=C(CC1=NC=C(C=C1)C2=CC=C(OCCN3CCOCC3)C=C2)NCC4=CC=CC=C4

InChI

InChIKey=HUNGUWOZPQBXGX-UHFFFAOYSA-N
InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)

HIDE SMILES / InChI

Molecular Formula C26H29N3O3
Molecular Weight 431.5268
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

KX-01 is a dual inhibitor of Src kinase and tubulin polymerization. KX01 promotes the induction of p53, G2/M arrest of proliferating cell populations and subsequent apoptosis via the stimulation of Caspase-3 and PARP cleavage. The drug was developed by Kinex Pharmaceuticals and reached phase II of clinical trials for the treatment of Castration-Resistant Prostate Cancer and Actinic Keratosis. KX-01 demonstrated good in vitro pofile against different cancer cell lines with IC50 in nanomolar range.

Approval Year

Sample Use Guides

In Vivo Use Guide
Patients recieve 40 mg of oral KX-01 twice-daily. Ointment form should be applied once daily.
Route of Administration: Oral; Topical
In Vitro Use Guide
PC3-LN4 human prostate cancer cells were treated with 10(-4)-10(4) nM of KX-01 for 72 hours and GI50 value was determined to be 40 nM.
Substance Class Chemical
Created
by admin
on Tue Oct 22 08:19:54 UTC 2019
Edited
by admin
on Tue Oct 22 08:19:54 UTC 2019
Record UNII
4V9848RS5G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIRBANIBULIN
INN  
Official Name English
KX-2-391
Code English
2-PYRIDINEACETAMIDE, 5-(4-(2-(4-MORPHOLINYL)ETHOXY)PHENYL)-N-(PHENYLMETHYL)-
Systematic Name English
N-BENZYL-2-(5-(4-(2-MORPHOLIN-4-YLETHOXY)PHENYL)PYRIDIN-2-YL)ACETAMIDE
Systematic Name English
TIRBANIBULIN [INN]
Common Name English
KX-01
Common Name English
KX-2391
Code English
KX2-391
Code English
Code System Code Type Description
ChEMBL
CHEMBL571546
Created by admin on Tue Oct 22 08:19:54 UTC 2019 , Edited by admin on Tue Oct 22 08:19:54 UTC 2019
PRIMARY
EPA CompTox
897016-82-9
Created by admin on Tue Oct 22 08:19:54 UTC 2019 , Edited by admin on Tue Oct 22 08:19:54 UTC 2019
PRIMARY
PUBCHEM
23635314
Created by admin on Tue Oct 22 08:19:54 UTC 2019 , Edited by admin on Tue Oct 22 08:19:54 UTC 2019
PRIMARY
CAS
897016-82-9
Created by admin on Tue Oct 22 08:19:54 UTC 2019 , Edited by admin on Tue Oct 22 08:19:54 UTC 2019
PRIMARY
INN
10864
Created by admin on Tue Oct 22 08:19:54 UTC 2019 , Edited by admin on Tue Oct 22 08:19:54 UTC 2019
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY