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PF-5177624

CAT: 0013-GTR19208485-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208485-02Size:50 mg
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Description
PF-5177624 is a potent and selective PDK1 inhibitor that demonstrates anti-tumor efficacy in breast cancer cell lines. Its application extends to researching PI3K/AKT pathway signaling in vitro and has been evaluated in xenograft models for in vivo oncology studies.
CAS Number
1350821-45-2
Field of Research
Signal Transduction
Smiles
C (=O) (C=1C=2C (N (C (C) C) C1) =NC=NC2N) C3=NC (N[C@H]4[C@H] (N (C=O) CC4) C5=CC=C (F) C=C5) =CN=C3
Molecular Formula
C25H25FN8O2
Molecular Weight
488.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CAS Number1350821-45-2
PubChem CID56834890
IUPAC Name(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
Molecular FormulaC25H25FN8O2
Molecular Weight488.5
XLogP2.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity781
SMILES
CC(C)N1C=C(C2=C(N=CN=C21)N)C(=O)C3=CN=CC(=N3)N[C@@H]4CCN([C@@H]4C5=CC=C(C=C5)F)C=O
InChI
InChI=1S/C25H25FN8O2/c1-14(2)34-11-17(21-24(27)29-12-30-25(21)34)23(36)19-9-28-10-20(32-19)31-18-7-8-33(13-35)22(18)15-3-5-16(26)6-4-15/h3-6,9-14,18,22H,7-8H2,1-2H3,(H,31,32)(H2,27,29,30)/t18-,22-/m1/s1
InChIKey
TZOLUHQWLXJGBH-XMSQKQJNSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CAS: 1350821-45-2
CID: 56834890
Formula: C25H25FN8O2
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass488.20845023
Monoisotopic Mass488.20845023
Topological Polar Surface Area132 Ų
Heavy Atom Count36
Formal Charge0
Complexity781
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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