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LFHP-1c

CAT: 0013-GTR19231196-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231196-02Size:25 mg
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Description
LFHP-1c is a novel small molecule inhibitor of PGAM5 with demonstrated neuroprotective properties. It has been shown to preserve blood-brain barrier integrity in a rat model of transient middle cerebral artery occlusion (tMCAO), making it a useful tool for studying ischemic stroke pathology.
CAS Number
2102347-47-5
Field of Research
Metabolism Research
Purity
98.07% (May vary between batches)
Smiles
O=C (OC (C=1C=CC=CC1C (=O) NCCCCCCCCNC (=O) C=2C=CC=CC2C=3C=CC (=CC3) CN4C5=CC (=CC (=C5N=C4CCC) C) C6=NC=7C=CC=CC7N6C) CCCC) C
Molecular Formula
C55H64N6O4
Molecular Weight
873.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LFHP-1c
CAS Number2102347-47-5
PubChem CID168355614
IUPAC Name1-[2-[8-[[2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoyl]amino]octylcarbamoyl]phenyl]pentyl acetate
Molecular FormulaC55H64N6O4
Molecular Weight873.1
XLogP11.7
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count23
Heavy Atom Count65
Formal Charge0
Complexity1460
SMILES
CCCCC(C1=CC=CC=C1C(=O)NCCCCCCCCNC(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C5=C(C(=CC(=C5)C6=NC7=CC=CC=C7N6C)C)N=C4CCC)OC(=O)C
InChI
InChI=1S/C55H64N6O4/c1-6-8-28-50(65-39(4)62)44-23-14-16-25-46(44)55(64)57-34-20-12-10-9-11-19-33-56-54(63)45-24-15-13-22-43(45)41-31-29-40(30-32-41)37-61-49-36-42(35-38(3)52(49)59-51(61)21-7-2)53-58-47-26-17-18-27-48(47)60(53)5/h13-18,22-27,29-32,35-36,50H,6-12,19-21,28,33-34,37H2,1-5H3,(H,56,63)(H,57,64)
InChIKey
OITTXMIOSJEXLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LFHP-1c
CAS: 2102347-47-5
CID: 168355614
Formula: C55H64N6O4
MW: 873.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight873.1
XLogP311.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count23
Exact Mass872.49890454
Monoisotopic Mass872.49890454
Topological Polar Surface Area120 Ų
Heavy Atom Count65
Formal Charge0
Complexity1460
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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