NAV

SNX-2112

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
SNX-2112
DrugBank Accession Number
DB17055
Background

SNX-2112 is a heat shock protein 90 (Hsp90) inhibitor.1

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 464.489
Monoisotopic: 464.203525234
Chemical Formula
C23H27F3N4O3
Synonyms
  • Benzamide, 2-((trans-4-hydroxycyclohexyl)amino)-4-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1h-indazol-1-yl)-
External IDs
  • PF-04928473
  • SNX-2112
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
10C9P3FFOW
CAS number
908112-43-6
InChI Key
ZFVRYNYOPQZKDG-MQMHXKEQSA-N
InChI
InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14-
IUPAC Name
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[(1r,4r)-4-hydroxycyclohexyl]amino}benzamide
SMILES
CC1(C)CC2=C(C(=NN2C2=CC=C(C(N)=O)C(N[C@H]3CC[C@H](O)CC3)=C2)C(F)(F)F)C(=O)C1

References

General References
  1. Wang SX, Ju HQ, Liu KS, Zhang JX, Wang X, Xiang YF, Wang R, Liu JY, Liu QY, Xia M, Xing GW, Liu Z, Wang YF: SNX-2112, a novel Hsp90 inhibitor, induces G2/M cell cycle arrest and apoptosis in MCF-7 cells. Biosci Biotechnol Biochem. 2011;75(8):1540-5. doi: 10.1271/bbb.110225. Epub 2011 Aug 7. [Article]
ChemSpider
24624473
BindingDB
50378702
ChEMBL
CHEMBL560895
ZINC
ZINC000102249129
PDBe Ligand
E0G
PDB Entries
4nh7 / 6cjr / 6ltk

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0148 mg/mLALOGPS
logP3.32ALOGPS
logP3.37Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)14.86Chemaxon
pKa (Strongest Basic)2.88Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area110.24 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity119.3 m3·mol-1Chemaxon
Polarizability45.86 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 18:52 / Updated at December 01, 2022 11:34