SNX-2112
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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
- 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
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- 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]
- External Links
- ChemSpider
- 24624473
- BindingDB
- 50378702
- ChEMBL
- CHEMBL560895
- ZINC
- ZINC000102249129
- PDBe Ligand
- E0G
- PDB Entries
- 4nh7 / 6cjr / 6ltk
Clinical Trials
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
Property Value Source Water Solubility 0.0148 mg/mL ALOGPS logP 3.32 ALOGPS logP 3.37 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 14.86 Chemaxon pKa (Strongest Basic) 2.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 110.24 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 119.3 m3·mol-1 Chemaxon Polarizability 45.86 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 18:52 / Updated at December 01, 2022 11:34