Basic information
- CAS
343351-67-7- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])o2)cc1- InChIKey
GAUHIPWCDXOLCZ-UHFFFAOYSA-N- Molecular formula
- C11H9NO5S
- Average molar mass
- 267.26 g/mol
- Monoisotopic mass
- 267.02014356
Overview
a Ubc13 inhibitor; structure in first source
Names & identifiers
- Preferred name
- 2-((4-Methylphenyl)sulfonyl)-5-nitrofuran
- IUPAC
- 2-(4-methylphenyl)sulfonyl-5-nitrofuran
- English name
- NSC697923
- Molecular formula
- C11H9NO5S
- Molecular weight
- 267.25786
Names & synonyms
2-[(4-methylphenyl)sulfonyl]-5-nitrofuran2-((4-Methylphenyl)sulfonyl)-5-nitrofuranRefChem:909001NSC697923343351-67-7NSC 6979232-Nitro-5-tosylfuran2-(4-methylphenyl)sulfonyl-5-nitrofuranNSC-697923MLS002702444Furan, 2-[(4-methylphenyl)sulfonyl]-5-nitro-2-nitro-5-(p-tolylsulfonyl)furan
Show more names
NSC697923 USP/EP/BPNSC697923, 10 mM in DMSONSC697923, UBE2N inhibitorUbcH13 Inhibitor, NSC6979232-[(4-Methylphenyl)sulfonyl]-5-nitrofur
SMR0015660062-[(4-Methylphenyl)sulfonyl]-5-nitro-furan2-(4-METHYLBENZENESULFONYL)-5-NITROFURANMFCD019251322-Nitro-5-(toluene-4-sulfonyl)-furan2-nitro-5-tosyl-furanNCIMech_000297Oprea1_719610
Database identifiers
- CAS
343351-67-7- PubChem CID
- 394449
- ChEMBL
CHEMBL1698008
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 124 · 124-126°C
- Boiling point
- 443.8 · 443.8±40.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- 20 mg/mL, · DMSO: soluble20mg/mL, clear
- form
- powder
- color
- white to beige
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 1 month.
- InChI
- 1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
- InChIKey
- GAUHIPWCDXOLCZ-UHFFFAOYSA-N
- SMILES
- [S](=O)(=O)(c2[o]c(cc2)[N+](=O)[O-])c1ccc(cc1)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
DescriptionNSC-69723 (343351-67-7) is a selective inhibitor of the E2 ubiquitin-conjugating enzyme, Ubc13-Uev1A. Does not inhibit UbcH5c activity. Impedes the formation of the Ubc13 and inhibits NF-κB activation in activated B cell-like diffuse large B-cell lymphoma (ABC-DLBCL) cells.1Blocks proliferation and survival of both ABC-DLBCL and germinal center B cell-like (GCB)-DLBCL cell lines, and survival of primary DLBCL cells. NSC-69723 acts via covalent bonding to E2 active site thiol.2,3Induces neuroblastoma cell death via activation of p53 and JNK.4
UsesNSC 697923 is a cell-permeable and selective inhibitor of the ubiquitin-conjugating (E2) enzyme Ubc13-Uev1A and exhibits potent cytotoxicity in a panel of Neuroblastoma (NB) cell lines. NSC 697923 also inhibits the proliferation and survival of diffuse large B-cell lymphoma cells (DLBCL).
Suppliers46 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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