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PI3Kγ ligand 1

CAT: 0931-T201559-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201559-01Size:10 mg
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CAS Number
2769753-45-7
Target
Ligands for Target Protein for PROTAC, PI3K
Related Pathways
PROTAC, PI3K/Akt/mTOR signaling
Bioactivity
PI3Kγ ligand 1 serves as a PROTAC target protein ligand (Ligand for Target Protein for PROTAC) .
Smiles
O=C1NCCC=2C=C(C=CC12)C3=CC(=CN=C3N)C=4C=CC(=CC4)S(=O)(=O)N(CCCN)C5CC5
Molecular Formula
C26H29N5O3S
Molecular Weight
491.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-N-(3-aminopropyl)-N-cyclopropylbenzenesulfonamide
CAS Number2769753-45-7
PubChem CID176419290
IUPAC Name4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-N-(3-aminopropyl)-N-cyclopropylbenzenesulfonamide
Molecular FormulaC26H29N5O3S
Molecular Weight491.6
XLogP2.2
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity836
SMILES
C1CC1N(CCCN)S(=O)(=O)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)C4=CC5=C(C=C4)C(=O)NCC5
InChI
InChI=1S/C26H29N5O3S/c27-11-1-13-31(21-5-6-21)35(33,34)22-7-2-17(3-8-22)20-15-24(25(28)30-16-20)18-4-9-23-19(14-18)10-12-29-26(23)32/h2-4,7-9,14-16,21H,1,5-6,10-13,27H2,(H2,28,30)(H,29,32)
InChIKey
MESBXTHMTBXZEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]-N-(3-aminopropyl)-N-cyclopropylbenzenesulfonamide
CAS: 2769753-45-7
CID: 176419290
Formula: C26H29N5O3S
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass491.19911098
Monoisotopic Mass491.19911098
Topological Polar Surface Area140 Ų
Heavy Atom Count35
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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