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Basic information
- CAS
404950-80-7- Standard SMILES
Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1- InChIKey
FPOHNWQLNRZRFC-ZHACJKMWSA-N- Molecular formula
- C21H23N3O2
- Average molar mass
- 349.434 g/mol
- Monoisotopic mass
- 349.17902698
Names & identifiers
- Preferred name
- Panobinostat
- IUPAC
- (2E)-N-Hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide
- English name
- Panobinostat
- Molecular formula
- C21H23N3O2
- Molecular weight
- 349.43
Names & synonyms
panobinostaCS-422LBH-589NVP-LBH589PalcociclibPANOBINOSTAT2-AcrylamidePalmer than hePanobinostat D7Panobinostat, >=98%
Database identifiers
- CAS
404950-80-7- PubChem CID
- 6918837
- DTXSID
DTXSID40193506- ChEMBL
CHEMBL483254- ChEBI
CHEBI:85990- UNII
- 9647FM7Y3Z
- EC Number
- 803-814-1
- Nikkaji
- J2.554.199E、J3.451.397J
Properties
Physicochemical properties
- Melting point
- 114 · 114-117C
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Soluble in DMSO (up to 100 mg/ml) or in Ethanol (up to 5 mg/ml with warming).
- pka
- 8.71 · 8.71±0.23(Predicted)
- form
- solid
- color
- Off-white
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month.
- InChI
- InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
- InChIKey
- FPOHNWQLNRZRFC-ZHACJKMWSA-N
- SMILES
- C(NO)(=O)/C=C/C1=CC=C(CNCCC2C3=C(NC=2C)C=CC=C3)C=C1
- NCI Dictionary of Cancer Terms
- 589 · LBH589; panobinostat
- FDA UNII
- 9647 FM7Y3Z · 9647FM7Y3Z
- ATC code
- 1 XH03 · L01XH03
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Protein binding
- 90 % · 90%
- Excreted unchanged in urine
- 2.5 % · <2.5%
- Volume of distribution
- 1000 Litres · 1000 Litres
- Biological half-life
- 37 · 37
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 29339900
- risk_code
- 22-36/37/38-20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Repr. 1BSkin Irrit. 2STOT RE 2 Inhalation
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
DescriptionPanobinostat is a potent inhibitor of all histone deacetylases (HDACs), with Ki values ranging from 0.6 to 31 nM for HDAC1-11. Through this action, it leads to acetylation of a range of cellular proteins, resulting in cell cycle arrest and apoptosis in cancer cells. It has potential applications in several different forms of cancer as well as in spinal muscular atrophy and HIV therapy.
UsesThe novel labelled histone deacetylase inhibitor, LBH589, induces expression of DNA damage response genes and apoptosis in Ph- acute lymphoblastic leukemia cells.
UsesThe novel histone deacetylase inhibitor, LBH589, induces expression of DNA damage response genes and apoptosis in Ph- acute lymphoblastic leukemia cells.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司
Related reactions
7 records
Compound notes
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