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Details

Stereochemistry ACHIRAL
Molecular Formula C25H32F3N7O2.C4H4O4
Molecular Weight 635.6346
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AZD-3514 MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CC(=O)N1CCN(CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(CC4)=NN=C5C(F)(F)F)CC1

InChI

InChIKey=IVTNXTLJYLDFPL-BTJKTKAUSA-N
InChI=1S/C25H32F3N7O2.C4H4O4/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23;5-3(6)1-2-4(7)8/h2-5,20H,6-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C25H32F3N7O2
Molecular Weight 519.5625
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

AZD-3514 is a down-regulator of androgen receptors. The drug was synthesized by AstraZeneca for the treatment of castrate-resistant prostate cancer and even reached phase I, however, its development was terminated.

Originator

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
5.75 null [pIC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

In Vivo Use Guide
Patients were treated with escalating doses of AZD-3514, where starting doses were 100, 250 and 1000 mg/day.
Route of Administration: Oral
In Vitro Use Guide
LNCaP cells were treated with AZD-3514 for 24 hours at doses 0.4, 1.1, 3.3, 10, 30 uM. The drug inhibited DHT driven proliferation of LNCaP cells in a dose-dependent manner. The DHT driven proliferation of LAPC4 cells was also inhibited by 10 uM of AZD-3514.
Substance Class Chemical
Created
by admin
on Tue Oct 22 15:05:18 UTC 2019
Edited
by admin
on Tue Oct 22 15:05:18 UTC 2019
Record UNII
M83J585CMW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-3514 MALEATE
Common Name English
ETHANONE, 1-(4-(2-(4-(1-(7,8-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-B)PYRIDAZIN-6-YL)-4-PIPERIDINYL)PHENOXY)ETHYL)-1-PIPERAZINYL)-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1240299-36-8
Created by admin on Tue Oct 22 15:05:18 UTC 2019 , Edited by admin on Tue Oct 22 15:05:18 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY