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AGPS-IN-2i

CAT: 0013-GTR19210332-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19210332-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AGPS-IN-2i is a high-affinity alkylglycerol phosphate synthase inhibitor that depletes cellular ether lipids. This tool compound has been utilized in vitro to study ether lipid metabolism's role in cancer cell migration, proliferation, and motility.
CAS Number
2316782-88-2
Product Name Alternative
MMP-2, alkylglycerol phosphate synthase, AGPS-IN-2i, BMS 986318, BMS986318
Field of Research
Metabolism Research, Protein Biochemistry
Purity
98.92% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (65.15 mM)
Smiles
C (NC (CC (C) C1=C (F) C=CC=C1F) =O) C=2C=C3C (=CC2) NC (=O) N3
Molecular Formula
C18H17F2N3O2
Molecular Weight
345.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Agps-IN-1
CAS Number2316782-88-2
PubChem CID155559442
IUPAC Name3-(2,6-difluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
Molecular FormulaC18H17F2N3O2
Molecular Weight345.3
XLogP2.1
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity495
SMILES
CC(CC(=O)NCC1=CC2=C(C=C1)NC(=O)N2)C3=C(C=CC=C3F)F
InChI
InChI=1S/C18H17F2N3O2/c1-10(17-12(19)3-2-4-13(17)20)7-16(24)21-9-11-5-6-14-15(8-11)23-18(25)22-14/h2-6,8,10H,7,9H2,1H3,(H,21,24)(H2,22,23,25)
InChIKey
VDLFVZUKOKPJRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Agps-IN-1
CAS: 2316782-88-2
CID: 155559442
Formula: C18H17F2N3O2
MW: 345.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.3
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass345.12888312
Monoisotopic Mass345.12888312
Topological Polar Surface Area70.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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