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VU0359595

CAT: 1410-M33759-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M33759-06Size:100 mg
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Description
VU0359595 (ML-270) is a potent and selective pharmacological phospholipase D1 (PLD1) inhibitor with an IC50 of 3.7 nM. VU0359595 is >1700-fold selective for PLD1 over PLD2 (IC50 of 6.4 μM) . VU0359595 can be used for the research of cancer, diabetes, neurodegenerative and inflammatory diseases.
CAS Number
1246303-14-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
497.43
Molecular Formula
C25H29BrN4O2
Notes
Research use only, not for human use.
Receptor
Phospholipase

Chemical Information

(1R,2R)-N-((S)-1-(4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide
CAS Number1246303-14-9
PubChem CID44573131
IUPAC Nametrans-(1R,2R)-N-[(2S)-1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
Molecular FormulaC25H29BrN4O2
Molecular Weight497.4
XLogP3.6
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity691
SMILES
C[C@@H](CN1CCC(CC1)N2C3=C(C=C(C=C3)Br)NC2=O)NC(=O)[C@@H]4C[C@H]4C5=CC=CC=C5
InChI
InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20-,21+/m0/s1
InChIKey
JSVNNLRZCJAYTQ-ORYQWCPZSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R)-N-((S)-1-(4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide
CAS: 1246303-14-9
CID: 44573131
Formula: C25H29BrN4O2
MW: 497.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass496.14739
Monoisotopic Mass496.14739
Topological Polar Surface Area64.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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