Basic information
- CAS
6298-15-3- Standard SMILES
O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)c2ccccc21- InChIKey
QRPKNPKHGNUFGK-UHFFFAOYSA-N- Molecular formula
- C21H14ClN3O4S
- Average molar mass
- 439.9 g/mol
- Monoisotopic mass
- 439.0393548
Names & identifiers
- Preferred name
- 4-[(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]-N-(2-pyridinyl)benzenesulfonamide
- IUPAC
- 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
- English name
- Benzenesulfonamide,4-[(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]-N-2-pyridinyl-
- Molecular formula
- C21H14ClN3O4S
- Molecular weight
- 439.87
Names & synonyms
6298-15-3BC-23NSC453824-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-pyridin-2-ylbenzenesulfonamide4-[(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]-N-(2-pyridinyl)benzenesulfonamideNSC-45382CHEMBL12142744-((3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)-N-(pyridin-2-yl)benzenesulfonamide4-[(3-Chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]-N-2-pyridinylbenzenesulfonamide4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-n-(pyridin-2-yl)benzenesulfonamide4-((3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino)-N-(2-pyridinyl)benzenesulfonamideNCIStruc1_001074
Show more names
NSC 45382)BC-23 (BC23Benzenesulfonamide,4-[(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]-N-2-pyridinyl-
NCIStruc2_001139orb1701094SCHEMBL2243581SCHEMBL29392404DTXSID90978860QRPKNPKHGNUFGK-UHFFFAOYSA-NNCI45382BDBM50556644
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 815
Physicochemical properties
- Melting point
- 262 °C · 262 °C (decomp)(Solv: water (7732-18-5); 1,4-dioxane (123-91-1))
- Boiling point
- 615.9 · 615.9±65.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- 2 C · +2C to +8C
- solubility
- 25 mg/mL · DMSO: 25mg/mL
- form
- Dark red solid
- pka
- 8.47 · 8.47±0.10(Predicted)
- color
- Orange to red
- InChI
- 1S/C21H14ClN3O4S/c22-18-19(21(27)16-6-2-1-5-15(16)20(18)26)24-13-8-10-14(11-9-13)30(28,29)25-17-7-3-4-12-23-17/h1-12,24H,(H,23,25)
- InChIKey
- QRPKNPKHGNUFGK-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 2 · WGK 2
- Storage Class
- 11 · 11 - Combustible Solids
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 2
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesBC-23 (NSC 45382) is a proteasome inhibitor. BC-23 exhibits good inhibition of CT-L activity of the proteasome and is selective for malignant over normal cells[1][2].
Suppliers12 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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