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Nic-15

CAT: 0013-GTR19239096-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239096-01Size:25 mg
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Description
Nic-15 (compound 4n) is a small molecule that targets the low vascularity of pancreatic tumors, modulating the PI3K/Akt/mTOR pathway and alleviating ER stress to overcome gemcitabine resistance. It inhibits migration and colony formation in MIA PaCa-2 and PANC-1 cells and enhances gemcitabine efficacy in xenograft models.
CAS Number
2896739-91-4
Field of Research
Signal Transduction
Smiles
C (=O) ([C@H]1[C@@H] (CC (CCC=C (C) C) =CC1) C2=C (F) C (F) =CC=C2) C3=C (O) C=CC=C3O
Molecular Formula
C25H26F2O3
Molecular Weight
412.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(1R,6R)-6-(2,3-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone
CAS Number2896739-91-4
PubChem CID172420085
IUPAC Name[(1R,6R)-6-(2,3-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone
Molecular FormulaC25H26F2O3
Molecular Weight412.5
XLogP6.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity645
SMILES
CC(=CCCC1=CC[C@H]([C@@H](C1)C2=C(C(=CC=C2)F)F)C(=O)C3=C(C=CC=C3O)O)C
InChI
InChI=1S/C25H26F2O3/c1-15(2)6-3-7-16-12-13-18(25(30)23-21(28)10-5-11-22(23)29)19(14-16)17-8-4-9-20(26)24(17)27/h4-6,8-12,18-19,28-29H,3,7,13-14H2,1-2H3/t18-,19+/m1/s1
InChIKey
YUBNUKLPDZRGOV-MOPGFXCFSA-N
Chemical Structure
2D Structure
2D structure of [(1R,6R)-6-(2,3-difluorophenyl)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-(2,6-dihydroxyphenyl)methanone
CAS: 2896739-91-4
CID: 172420085
Formula: C25H26F2O3
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass412.18500101
Monoisotopic Mass412.18500101
Topological Polar Surface Area57.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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