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PHTPP-1304

CAT: 0013-GTR19236249-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236249-02Size:50 mg
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Description
PHTPP-1304 is an AUTOTAC-based small molecule that potently degrades ERβ (DC50 ~2 nM) by inducing p62 self-oligomerization and forming p62/ERβ puncta to engage autophagy. This compound is a valuable chemical probe for studying targeted protein degradation and autophagic flux in cellular models of cancer and endocrine research.
CAS Number
2410081-60-4
Field of Research
Cell Biology, Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (F) (F) (F) C=1N2C (=C (C (=N2) C3=CC=CC=C3) C4=CC=C (OCCOCCOCCNC[C@H] (COC5=CC (OCCCC6=CC=CC=C6) =C (OCC7=CC=CC=C7) C=C5) O) C=C4) N=C (C (F) (F) F) C1
Molecular Formula
C51H50F6N4O7
Molecular Weight
944.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phtpp-1304
CAS Number2410081-60-4
PubChem CID153397130
IUPAC Name(2R)-1-[2-[2-[2-[4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]ethoxy]ethoxy]ethylamino]-3-[4-phenylmethoxy-3-(3-phenylpropoxy)phenoxy]propan-2-ol
Molecular FormulaC51H50F6N4O7
Molecular Weight945.0
XLogP9.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count25
Heavy Atom Count68
Formal Charge0
Complexity1380
SMILES
C1=CC=C(C=C1)CCCOC2=C(C=CC(=C2)OC[C@@H](CNCCOCCOCCOC3=CC=C(C=C3)C4=C5N=C(C=C(N5N=C4C6=CC=CC=C6)C(F)(F)F)C(F)(F)F)O)OCC7=CC=CC=C7
InChI
InChI=1S/C51H50F6N4O7/c52-50(53,54)45-32-46(51(55,56)57)61-49(59-45)47(48(60-61)39-16-8-3-9-17-39)38-18-20-41(21-19-38)65-30-29-64-28-27-63-26-24-58-33-40(62)35-67-42-22-23-43(68-34-37-13-6-2-7-14-37)44(31-42)66-25-10-15-36-11-4-1-5-12-36/h1-9,11-14,16-23,31-32,40,58,62H,10,15,24-30,33-35H2/t40-/m1/s1
InChIKey
RFLBGKJLIDOOAA-RRHRGVEJSA-N
Chemical Structure
2D Structure
2D structure of Phtpp-1304
CAS: 2410081-60-4
CID: 153397130
Formula: C51H50F6N4O7
MW: 945.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight945.0
XLogP39.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count25
Exact Mass944.35836892
Monoisotopic Mass944.35836892
Topological Polar Surface Area118 Ų
Heavy Atom Count68
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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