TW-37
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- TW-37
- DrugBank Accession Number
- DB17059
- Background
TW-37 is a small-molecule inhibitor of Bcl-2 investigated for its anti-cancer properties.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 573.7
Monoisotopic: 573.218509025 - Chemical Formula
- C33H35NO6S
- Synonyms
- Benzamide, n-(4-((2-(1,1-dimethylethyl)phenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-((2-(1-methylethyl)phenyl)methyl)-
- N-(4-((2-(1,1-dimethylethyl)phenyl)sulfonyl)phenyl)-2,3,4-trihydroxy-5-((2-(1-methylethyl)phenyl)methyl)benzamide
- N-[4-[[2-(1,1-Dimethylethyl)phenyl]sulfonyl]phenyl]-2,3,4-trihydroxy-5-[[2-(1-methylethyl)phenyl]methyl]benzamide
- External IDs
- TW 37
- TW-37
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- FQ8NY4LUO5
- CAS number
- 877877-35-5
- InChI Key
- PQAPVTKIEGUPRN-UHFFFAOYSA-N
- InChI
- InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)
- IUPAC Name
- N-[4-(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-trihydroxy-5-{[2-(propan-2-yl)phenyl]methyl}benzamide
- SMILES
- CC(C)C1=CC=CC=C1CC1=C(O)C(O)=C(O)C(=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C
References
- General References
- Zeitlin BD, Spalding AC, Campos MS, Ashimori N, Dong Z, Wang S, Lawrence TS, Nor JE: Metronomic small molecule inhibitor of Bcl-2 (TW-37) is antiangiogenic and potentiates the antitumor effect of ionizing radiation. Int J Radiat Oncol Biol Phys. 2010 Nov 1;78(3):879-87. doi: 10.1016/j.ijrobp.2010.04.024. Epub 2010 Aug 1. [Article]
- External Links
- ChemSpider
- 9630758
- BindingDB
- 50196032
- ChEBI
- 95008
- ChEMBL
- CHEMBL217354
- ZINC
- ZINC000029464717
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 0.000596 mg/mL ALOGPS logP 5.82 ALOGPS logP 7.99 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 8.11 Chemaxon pKa (Strongest Basic) -3.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 123.93 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 163.66 m3·mol-1 Chemaxon Polarizability 62.69 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 19:09 / Updated at September 17, 2023 04:15