RD162

CAT: 0804-HY-111145-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-111145-01Size:1 mg

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Description

RD162, a diarylthiohydantoin, is an orally active non-steroidal antiandrogen (NSAA) . RD162 specifically binds to androgen receptor (AR) . RD162 induces tumor regression in mouse models of castration-resistant human prostate cancer[1].

CAS Number

915087-27-3

UNSPSC

12352005

Target

Androgen Receptor

Type

Reference compound

Related Pathways

Vitamin D Related/Nuclear Receptor

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/rd162.html

Purity

99.69

Solubility

DMSO : 125 mg/mL (ultrasonic)

Smiles

O=C(NC)C1=CC=C(N(C(N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C3=O)=S)C43CCC4)C=C1F

Molecular Formula

C22H16F4N4O2S

Molecular Weight

476.45

References & Citations

[1]Chris Tran, et al. Development of a second-generation antiandrogen for treatment of advanced prostate cancer. Science. 2009 May 8;324 (5928) :787-90.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide

CAS Number	915087-27-3
PubChem CID	11957756
IUPAC Name	4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
Molecular Formula	C22H16F4N4O2S
Molecular Weight	476.4
XLogP	3.7
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	33
Formal Charge	0
Complexity	883

SMILES

CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(C=C4)C#N)C(F)(F)F)F

InChI

InChI=1S/C22H16F4N4O2S/c1-28-18(31)15-6-5-14(10-17(15)23)30-20(33)29(19(32)21(30)7-2-8-21)13-4-3-12(11-27)16(9-13)22(24,25)26/h3-6,9-10H,2,7-8H2,1H3,(H,28,31)

InChIKey

JPQFGMYHKSKKGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 915087-27-3

CID: 11957756

Formula: C22H16F4N4O2S

MW: 476.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	476.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	476.09300959
Monoisotopic Mass	476.09300959
Topological Polar Surface Area	109 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	883
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

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Catalog	Name
C3186-5	RD162

RD162

Chemical Information

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