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PT-88

CAT: 0013-GTR19234127-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234127-02Size:50 mg
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Description
PT-88 is a potent and selective dual mTORC1/2 inhibitor (IC50=1.2 nM) used to study mTOR's role in cancer biology. It is applied in breast cancer research and has demonstrated utility in both in vitro cellular assays and in vivo tumor model studies.
CAS Number
2803307-04-0
Field of Research
Signal Transduction
Smiles
O=C1OCC2=CC (=CC=C12) NC (=O) NC=3C=CC (=CC3) C=4N=C (N=C (N4) N5C6COCC5CC6) N7C8COCC7CC8
Molecular Formula
C30H31N7O5
Molecular Weight
569.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 171714277
CAS Number2803307-04-0
PubChem CID171714277
IUPAC Name1-[4-[4,6-bis(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-(1-oxo-3H-2-benzofuran-5-yl)urea
Molecular FormulaC30H31N7O5
Molecular Weight569.6
XLogP3
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity951
SMILES
C1CC2COCC1N2C3=NC(=NC(=N3)C4=CC=C(C=C4)NC(=O)NC5=CC6=C(C=C5)C(=O)OC6)N7C8CCC7COC8
InChI
InChI=1S/C30H31N7O5/c38-27-25-10-5-20(11-18(25)12-42-27)32-30(39)31-19-3-1-17(2-4-19)26-33-28(36-21-6-7-22(36)14-40-13-21)35-29(34-26)37-23-8-9-24(37)16-41-15-23/h1-5,10-11,21-24H,6-9,12-16H2,(H2,31,32,39)
InChIKey
AVZAKRMYVPBYAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 171714277
CAS: 2803307-04-0
CID: 171714277
Formula: C30H31N7O5
MW: 569.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass569.23866711
Monoisotopic Mass569.23866711
Topological Polar Surface Area131 Ų
Heavy Atom Count42
Formal Charge0
Complexity951
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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