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Details

Stereochemistry ACHIRAL
Molecular Formula C25H32F3N7O2.C4H4O4
Molecular Weight 635.6346
Optical Activity NONE
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 No
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 No
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

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Androgen receptor
42
Target ID: P10275
Gene ID: 367.0
Gene Symbol: AR
Target Organism: Homo sapiens (Human)
Modulator
828
 5.75 null [pIC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Phase I
428
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
9750 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25920479
1000 mg 1 times / day steady-state, oral
dose: 1000 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
AZD-3514 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
36890 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/25920479
1000 mg 1 times / day steady-state, oral
dose: 1000 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
AZD-3514 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Sourcing

Sourcing

Vendor/AggregatorIDURL
1PlusChem LLC
1P009CPV
https://www.1pchem.com/search?query=1P009CPV
AK Scientific
2239AH
https://aksci.com/item_detail.php?cat=2239AH
AOBIOUS INC
AOB87377
http://aobious.com/aobious/search?search_query=AOB87377
Angene
AGN-PC-0WACGO
http://www.angenechemical.com/productshow/AGN-PC-0WACGO.html
ApexBio Technology
A1372
https://www.apexbt.com/catalogsearch/result/?q=A1372
BLD Pharm
BD559115
http://www.bldpharm.com/search/Search.html?keyword=BD559115
Chem Scene
CS-1443
http://www.chemscene.com/goproductList/searchProductList?productObj=CS-1443
ChemShuttle
111852
https://www.chemshuttle.com/catalogsearch/result/?q=111852
Debye Scientific
DA-35308
https://www.debyesci.com/index.php?id=product&ext[cno]=DA-35308
Excenen
EX-A1806
http://www.excenen.com/searchresultlist.php?id=EX-A1806
Matrix Scientific
147200
http://www.matrixscientific.com/147200.html
MedChem Express
HY-16079
https://www.medchemexpress.com/search.html?q=HY-16079&ft=&fa=&fp=
MolPort
MolPort-035-395-802
https://www.molport.com/shop/molecule-link/MolPort-035-395-802
Molnova
M10970
https://www.molnova.com/en/serch-list.html?keywords=M10970
MuseChem
I000960
https://www.musechem.com/product/I000960.html
Selleck Chemicals
S7040
http://www.selleckchem.com/search.html?searchDTO.searchParam=S7040
ShangHai Biochempartner
BCP000930
http://www.biochempartner.com/search_BCP000930
ShangHai Biochempartner
BCP07896
http://www.biochempartner.com/search_BCP07896
TargetMol
T6400
https://www.targetmol.com/search?keyword=T6400
eMolecules
49383439
https://orderbb.emolecules.com/search/#?query=49383439
eNovation Chemicals
D372357
https://www.enovationchem.com/Products.asp?SEARCHTEXT=D372357&searchbtn.x=0&searchbtn.y=0
mcule
MCULE-7923912870
https://mcule.com/MCULE-7923912870/
PubMed

PubMed

TitleDatePubMed
Discovery of AZD3514, a small-molecule androgen receptor downregulator for treatment of advanced prostate cancer.
2013 Apr 1
Patents

Patents

08258140
7
20100267699
2

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 Sat Dec 16 01:27:49 UTC 2023
Edited
by admin
on Sat Dec 16 01:27:49 UTC 2023
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 Sat Dec 16 01:27:49 UTC 2023 , Edited by admin on Sat Dec 16 01:27:49 UTC 2023
PRIMARY
SMS_ID
100000177747
Created by admin on Sat Dec 16 01:27:49 UTC 2023 , Edited by admin on Sat Dec 16 01:27:49 UTC 2023
PRIMARY
FDA UNII
M83J585CMW
Created by admin on Sat Dec 16 01:27:49 UTC 2023 , Edited by admin on Sat Dec 16 01:27:49 UTC 2023
PRIMARY
PUBCHEM
68496044
Created by admin on Sat Dec 16 01:27:49 UTC 2023 , Edited by admin on Sat Dec 16 01:27:49 UTC 2023
PRIMARY
Related Record Type Details
Structure of MALEIC ACID
PARENT -> SALT/SOLVATE
Structure of AZD-3514
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of AZD-3514
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