AR/AR-V7-IN-1

CAT: 0931-T85720-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T85720-01Size:25 mg

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CAS Number

2964558-54-9

Target

Androgen Receptor

Related Pathways

Endocrinology/Hormones

Bioactivity

AR/AR-V7-IN-1 (Compound 20i) serves as an inhibitor of AR/ARV7, demonstrating an IC 50 of 172.85 nM. It effectively inhibits cell growth in the LNCaP and 22RV1 cell lines, with IC 50 values of 4.87 μM and 2.07 μM, respectively. Additionally, it shows potent tumor growth inhibition in a 22RV1 xenograft study. AR/AR-V7-IN-1 is useful in studies related to prostate cancer [1].

Smiles

N(C1CN(CCCF)C1)C2=CC=C(CC3CCN(CC3)C4=CC=C(C(N[C@@H]5CC[C@@H](OC6=CC(Cl)=C(C#N)C=C6)CC5)=O)N=N4)C=C2

Molecular Formula

C36H43ClFN7O2

Molecular Weight

660.22

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

AR/AR-V7-IN-1

CAS Number	2964558-54-9
PubChem CID	171391464
IUPAC Name	N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
Molecular Formula	C36H43ClFN7O2
Molecular Weight	660.2
XLogP	6.5
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Heavy Atom Count	47
Formal Charge	0
Complexity	1020

SMILES

C1CC(CCC1NC(=O)C2=NN=C(C=C2)N3CCC(CC3)CC4=CC=C(C=C4)NC5CN(C5)CCCF)OC6=CC(=C(C=C6)C#N)Cl

InChI

InChI=1S/C36H43ClFN7O2/c37-33-21-32(9-4-27(33)22-39)47-31-10-7-29(8-11-31)41-36(46)34-12-13-35(43-42-34)45-18-14-26(15-19-45)20-25-2-5-28(6-3-25)40-30-23-44(24-30)17-1-16-38/h2-6,9,12-13,21,26,29-31,40H,1,7-8,10-11,14-20,23-24H2,(H,41,46)

InChIKey

YYSOVURNYFNXBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2964558-54-9

CID: 171391464

Formula: C36H43ClFN7O2

MW: 660.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	660.2
XLogP3	6.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	659.3150795
Monoisotopic Mass	659.3150795
Topological Polar Surface Area	106 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T61820-01	Ar-V7-IN-1
T74410-01	PROTAC AR-V7 degrader-1
T209877-01	AR Degrader-1
T10359-01	AR antagonist 1
T10523-01	β3-AR agonist 1
T87682-01	α1B-AR antagonist 1
T212304-01	AR-DBD ligand-1
T30114-01	AR-12463
T30111-01	AR 12465
T14315-01	AR-9281

Alternative Products

Catalog	Name
GTR19235600-01	AR/AR-V7-IN-1
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OM641602	Human AR-V7 (AR-V7) ELISA Kit
A24100-100	PROTAC AR/AR-V7 degrader-1 100mg
A24100-50	PROTAC AR/AR-V7 degrader-1 50mg
A24100-10	PROTAC AR/AR-V7 degrader-1 10mg
A24100-5	PROTAC AR/AR-V7 degrader-1 5mg
GTR19221259-01	PROTAC AR-V7 degrader-1
MBS9146453-01	AR-V7 Rabbit pAb

AR/AR-V7-IN-1

Chemical Information

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