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NZ-28

CAT: 0931-T68755-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68755-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75041-32-6
Target
Others
Related Pathways
Others
Bioactivity
NZ28, also known as NSC134754, is potent HSF1 inhibitor, which induced inhibition of HSF1, SP1 and NF-κB triggers the loss of the natural killer cell-activating ligands MICA/B on human tumor cells. Heat-shock transcription factor HSF1 has a critical role in human epidermal growth factor receptor-2-induced cellular transformation and tumorigenesis.
Smiles
C(C=1C[C@]2(C=3C(=CC(OC)=C(OC)C3)CCN2CC1CC)[H])[C@@H]4C=5C(CCN4)=CC=CC5
Molecular Formula
C27H34N2O2
Molecular Weight
418.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
CAS Number75041-32-6
PubChem CID6713547
IUPAC Name(11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
Molecular FormulaC27H34N2O2
Molecular Weight418.6
XLogP3.8
Topological Polar Surface Area33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity649
SMILES
CCC1=C(C[C@H]2C3=CC(=C(C=C3CCN2C1)OC)OC)C[C@@H]4C5=CC=CC=C5CCN4
InChI
InChI=1S/C27H34N2O2/c1-4-18-17-29-12-10-20-15-26(30-2)27(31-3)16-23(20)25(29)14-21(18)13-24-22-8-6-5-7-19(22)9-11-28-24/h5-8,15-16,24-25,28H,4,9-14,17H2,1-3H3/t24-,25+/m1/s1
InChIKey
HDIJLRXRAJUXQB-RPBOFIJWSA-N
Chemical Structure
2D Structure
2D structure of (11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
CAS: 75041-32-6
CID: 6713547
Formula: C27H34N2O2
MW: 418.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass418.262028332
Monoisotopic Mass418.262028332
Topological Polar Surface Area33.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity649
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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