JNJ-63576253 5mg

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CAS Number

2110426-27-0

Chemical Information

Jnj-63576253

Androgen Receptor Antagonist TRC253 is an orally bioavailable androgen receptor (AR) antagonist, with potential antineoplastic activity. Upon oral administration, AR antagonist TRC253 specifically binds to both wild-type and certain mutant forms of AR, thereby preventing androgen-induced receptor activation and facilitating the formation of inactive complexes that cannot translocate to the nucleus. This prevents binding to and transcription of AR-responsive genes, inhibits the expression of genes that regulate prostate cancer cell proliferation, and may lead to an inhibition of growth of tumor cells in which AR is overexpressed and/or mutated. AR is often overexpressed and/or mutated in prostate cancers and plays a key role in proliferation, survival and chemoresistance of tumor cells.

CAS Number	2110426-27-0
PubChem CID	130229812
IUPAC Name	5-[8-oxo-5-(6-piperidin-4-yloxy-3-pyridinyl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
Molecular Formula	C23H21F3N6O2S
Molecular Weight	502.5
XLogP	3
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	35
Formal Charge	0
Complexity	884

SMILES

C1CC2(C1)C(=O)N(C(=S)N2C3=CN=C(C=C3)OC4CCNCC4)C5=CC(=C(N=C5)C#N)C(F)(F)F

InChI

InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2

InChIKey

OUEHJEYKNYQVRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2110426-27-0

CID: 130229812

Formula: C23H21F3N6O2S

MW: 502.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	502.5
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	502.13987959
Monoisotopic Mass	502.13987959
Topological Polar Surface Area	126 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	884
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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Alternative Products

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207041	JNJ-63576253
207173	JNJ-63576253 HCl
S9900-01	JNJ-63576253 (TRC-253)
T8933-01	JNJ-63576253 free base
HY-115282	JNJ-63576253 (free base)
MBS131356	JNJ-63533054 (JNJ63533054; JNJ 63533054)
MBS3603460-01	JNJ-55308942
FPD27376-01	JNJ-67856633
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JNJ-63576253 5mg

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