XL-418

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H32BrF3N8O
Molecular Weight	609.484
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C=C(C=C1NCCN2CCCC2)C(=O)CCC(F)(F)F)N3CCN(CC3)C4=NC=NC5=C4C(Br)=NN5

InChI

InChIKey=IKBSEBRGSVFUHM-UHFFFAOYSA-N

InChI=1S/C26H32BrF3N8O/c1-17-19(31-6-9-36-7-2-3-8-36)14-18(21(39)4-5-26(28,29)30)15-20(17)37-10-12-38(13-11-37)25-22-23(27)34-35-24(22)32-16-33-25/h14-16,31H,2-13H2,1H3,(H,32,33,34,35)

HIDE SMILES / InChI

Molecular Formula	C26H32BrF3N8O
Molecular Weight	609.484
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://clinicaltrials.gov/ct2/show/NCT00460278 | https://www.ncbi.nlm.nih.gov/pubmed/20616901

XL418 is a dual protein kinase B (Akt) and ribosomal protein S6 Kinase (p70 S6K) inhibitor that also acts as an ATP-pocket binder with potential antineoplastic activity. XL418 was involved in phase I clinical trial in patients with solid tumors, however, in Dec 2007, this study was discontinued, due to low drug exposure.

Originator

Approval Year

PubMed

Title	Date	PubMed
Multiple roles and therapeutic implications of Akt signaling in cancer.	2009 Feb 18	20616901

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:20:50 GMT 2023` Edited by `admin` on `Fri Dec 15 16:20:50 GMT 2023`
Record UNII	OLJ18SRI8A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

XL-418

Common Name

English

XL418

Code

English

1-BUTANONE, 1-(3-(4-(3-BROMO-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-YL)-1-PIPERAZINYL)-4-METHYL-5-((2-(1-PYRROLIDINYL)ETHYL)AMINO)PHENYL)-4,4,4-TRIFLUORO-

Systematic Name

English

Code System Code Type Description

FDA UNII

OLJ18SRI8A