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Vps34-IN-4

CAT: 0804-HY-123058-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123058-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vps34-IN-4 (compound 19) is a potent, selective, and orally active inhibitor of VPS34. Vps34-IN-4 inhibits the autophagy in vivo. Autophagy is a dynamic process that regulates lysosomal-dependent degradation of cellular components[1].
CAS Number
1383716-46-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy; PI3K
Type
Reference compound
Related Pathways
Autophagy; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/vps34-in-4.html
Purity
99.19
Solubility
DMSO : 78 mg/mL (ultrasonic)
Smiles
CC(O)(C)CNC1=NC=C(C2=NC(NC3=CC=NC=C3)=NC=C2)C(CC4CC4)=N1
Molecular Formula
C21H25N7O
Molecular Weight
391.47
Precautions
H302, H315, H319, H335
References & Citations
[1]Honda A, et al. Potent, Selective, and Orally Bioavailable Inhibitors of VPS34 Provide Chemical Tools to Modulate Autophagy in Vivo. ACS Med Chem Lett. 2015;7 (1) :72-76.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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