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Luminespib analog

CAT: 0804-HY-10976Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-10976Size:1 Each
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Description
Luminespib analog is an active compound.
CAS Number
747412-64-2
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/luminespib-analog.html
Smiles
O=C(C1=NOC(C2=CC(C(C)(C)C)=C(O)C=C2O)=C1C3=CC=C(CN4CCOCC4)C=C3)NCC
Molecular Formula
C27H33N3O5
Molecular Weight
479.57
References & Citations
[1]Combined pharmacophore and structure-guided studies to identify diverse HSP90 inhibitors|[2]Hsp90 inhibitors enhance the antitumoral effect of osimertinib in parental and osimertinib-resistant non-small cell lung cancer cell lines
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Auy922

AUY922 has been used in trials studying the treatment of Lymphoma, Breast Cancer, Metastatic Disease, Advanced Solid Tumors, and Hematologic Neoplasms, among others.

CAS Number747412-64-2
PubChem CID135545855
IUPAC Name5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
Molecular FormulaC27H33N3O5
Molecular Weight479.6
XLogP4.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity687
SMILES
CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)(C)C
InChI
InChI=1S/C27H33N3O5/c1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31/h6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33)
InChIKey
WLYWTGDTMWWNNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Auy922
CAS: 747412-64-2
CID: 135545855
Formula: C27H33N3O5
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass479.24202116
Monoisotopic Mass479.24202116
Topological Polar Surface Area108 Ų
Heavy Atom Count35
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FL137696-01Luminespib
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TBI4672-25MGLuminespib, HSP90 inhibitor
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