Basic information
- CAS
871824-55-4- Standard SMILES
NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1- InChIKey
KXSAIQPPGSSNKX-ZETCQYMHSA-N- Molecular formula
- C9H11ClN2O4S
- Average molar mass
- 278.71 g/mol
- Monoisotopic mass
- 278.0128057
Overview
JNJ-26489112 is under investigation in clinical trial NCT00579384 (A Study of the Effects of JNJ-26489112 on the Photic Induced Paroxysmal Electroencephalogram (EEG) Response in Patients With Photosensitive Epilepsy).
Names & identifiers
- Preferred name
- Jnj-26489112
- IUPAC
- (2S)-6-chloro-2-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
- English name
- (2S)-6-chloro-2-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
- Molecular formula
- C9H11ClN2O4S
- Molecular weight
- 278.71264
Names & synonyms
JNJ-26489112871824-55-4G1TI012DLTSulfamide, N-(((2S)-6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-DTXSID601031470RefChem:150531DTXCID101516580N-(((2S)-6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)aminosulfonamideCHEMBL3092995(2S)-6-chloro-2-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine(2S)-(-)-N-[(6-Chloro-2,3-dihydrobenzo[1,4]dioxin-2-yl)methyl]sulfamideUNII-G1TI012DLT
Show more names
JNJ 26489112,JNJ26489112Sulfamide, N-[[(2S)-6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-
SCHEMBL437342orb1700284KXSAIQPPGSSNKX-ZETCQYMHSA-NBDBM50444089AKOS040748625Sulfamide, [[(2S)-6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-DB15203DA-74662
Database identifiers
- CAS
871824-55-4- PubChem CID
- 11616111
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 457.8 · 457.8±55.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- pka
- 10.67 · 10.67±0.60(Predicted)
- FDA UNII
- 1 TI012DLT · G1TI012DLT
Chemistry & industry
Applications
UsesJNJ-26489112, a CNS-active agent, exhibits broad-spectrum anticonvulsant activity in rodents against audiogenic, electrically-induced, and chemically-induced seizures. JNJ-26489112 inhibits voltage-gated Na+ channels and N-type Ca2+ channels, and is effective as a K+ channel opener. JNJ-26489112 has very weak inhibition of CA-II (IC50=35 μM) and CA-I (18 μM)[1].
Suppliers7 total
United Life Science020-82099279 18988968278 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [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
Loading…