Basic information
- CAS
7733-96-2- Standard SMILES
O=C(c1cccs1)C1NO[N+]([O-])=C1c1cccs1- InChIKey
UHIJPASBKABNDY-UHFFFAOYSA-N- Molecular formula
- C11H8N2O3S2
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 279.99763447
Names & identifiers
- Preferred name
- (5-Oxido-4-thiophen-2-yl-2,3-dihydro-1,2,5-oxadiazol-5-ium-3-yl)-thiophen-2-ylmethanone
- IUPAC
- (5-oxido-4-thiophen-2-yl-2,3-dihydro-1,2,5-oxadiazol-5-ium-3-yl)-thiophen-2-ylmethanone
- English name
- [5-oxido-4-(thiophene-2-carbonyl)-1,2,5-oxadiazol-5-ium-3-yl]-thiophen-2-ylmethanone
- Molecular formula
- C12H6N2O4S2
- Molecular weight
- 306.32
Names & synonyms
NSC333205NSC-333205HC-056456HC-056456, 10 mM in DMSOHC-056456,inhibit,HC056456,Inhibitor3,4-Bis(2-thienoyl)-1,2,5-oxadiazole-N-oxideHC-056456 (3,4-Bis(2-thienoyl)-1,2,5-oxadiazole-N-oxide)HC-056456 (Synonyms: 3,4-Bis(2-thienoyl)-1,2,5-oxadiazole-N-oxide)Methanone, 1,1'-(2-oxido-1,2,5-oxadiazole-3,4-diyl)bis[1-(2-thienyl)-[5-oxido-4-(thiophene-2-carbonyl)-1,2,5-oxadiazol-5-ium-3-yl]-thiophen-2-ylmethanone
Database identifiers
- CAS
7733-96-2- PubChem CID
- 333142
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 113 · 113-114 °C(Solv: heptane (142-82-5))
- Boiling point
- 572.1 · 572.1±60.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 150 · DMSO:150.0(Max Conc. mg/mL);489.7(Max Conc. mM)
- form
- Solid
- pka
- -4.77 · -4.77±0.10(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesHC-056456 is an effective but not perfectly-selective blocker of CatSper channels. The [Na+]i rise is slowed by HC-056456 (IC50~3 μM).
Suppliers14 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫科泰生物科技有限公司18043446684 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海杰瑞兴生物医药科技有限公司17521512546 17721492509 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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