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FLI-06

CAT: 0607-B3083-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B3083-25Size:25 mg
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Description
novel inhibitor of Notch signaling
CAS Number
313967-18-9
Product Name Alternative
cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Field of Research
Stem Cell Notch
Purity
0.9978
Form
A solid
Solubility
≥16.1 mg/mL in DMSO; insoluble in H2O; ≥2.35 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCC4
Molecular Formula
C25H30N2O5
Molecular Weight
438.52
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

gamma-secretase inhibitor

CAS Number313967-18-9
PubChem CID3103157
IUPAC Namecyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Molecular FormulaC25H30N2O5
Molecular Weight438.5
XLogP4.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity852
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCC4
InChI
InChI=1S/C25H30N2O5/c1-15-21(24(29)32-18-7-5-4-6-8-18)22(16-9-11-17(12-10-16)27(30)31)23-19(26-15)13-25(2,3)14-20(23)28/h9-12,18,22,26H,4-8,13-14H2,1-3H3
InChIKey
SWWVFYHSSOWZMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS: 313967-18-9
CID: 3103157
Formula: C25H30N2O5
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass438.21547206
Monoisotopic Mass438.21547206
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity852
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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