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VPS34 inhibitor 1 (Compound 19)

CAT: 0957-S8456-10mM/1mLSize: 10 mM/1mLDry Ice: YesHazardous: No
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CAT#:0957-S8456-10mM/1mLSize:10 mM/1mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1383716-46-8
Synonyms
PIK-III analogue
Target
PI3K
Applications
PI3K/Akt/mTOR
Smiles
CC (C) (CNC1=NC=C (C (=N1) CC2CC2) C3=NC (=NC=C3) NC4=CC=NC=C4) O
Molecular Formula
C21H25N7O
Additionnal Information
VPS34 inhibitor 1 (Compound 19, PIK-III analogue) is a potent and selective inhibitor of VPS34 with an IC50 of 15 nM.
Storage Conditions
2 years -80 in solvent

Chemical Information

VPS34 inhibitor 1
CAS Number1383716-46-8
PubChem CID67983918
IUPAC Name1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
Molecular FormulaC21H25N7O
Molecular Weight391.5
XLogP2.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity509
SMILES
CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O
InChI
InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
InChIKey
XJTIGGCBXFIZJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VPS34 inhibitor 1
CAS: 1383716-46-8
CID: 67983918
Formula: C21H25N7O
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass391.21205845
Monoisotopic Mass391.21205845
Topological Polar Surface Area109 Ų
Heavy Atom Count29
Formal Charge0
Complexity509
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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Alternative Products

CatalogName
GTR19153944-01VPS34 inhibitor (Compound 80)
C13430-1gVPS34 inhibitor 1 (Compound 19)
A22378-2VPS34 inhibitor 1 (Compound 19) 2mg
A22378-10VPS34 inhibitor 1 (Compound 19) 10mg
A22378-50VPS34 inhibitor 1 (Compound 19) 50mg
A22378-5VPS34 inhibitor 1 (Compound 19) 5mg
A22378-100VPS34 inhibitor 1 (Compound 19) 100mg
A22378-25VPS34 inhibitor 1 (Compound 19) 25mg
A22378-1VPS34 inhibitor 1 (Compound 19) 1mg
A22378-10mM-DVPS34 inhibitor 1 (Compound 19) 10mM * 1mL in DMSO

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