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Basic information
- CAS
167710-87-4- Standard SMILES
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1.Cl- InChIKey
QSMYZGMJSGUWPM-UHFFFAOYSA-N- Molecular formula
- C26H37Cl2N3O6S
- Average molar mass
- 590.57 g/mol
- Monoisotopic mass
- 589.17801226
Names & identifiers
- Preferred name
- RS 39604 hydrochloride
- IUPAC
- N-{2-[4-(3-{4-Amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl}-3-oxopropyl)piperidin-1-yl]ethyl}methanesulfonamide--hydrogen chloride (1/1)
- English name
- 1-[4-Amino-5-chloro-2-(3,5-dimethoxyphenyl)methyloxy]-3-[[1-[2-methylsulphonylamino]ethyl]piperidin-4-yl]propan-1-one hydrochloride
- Molecular formula
- C26H37Cl2N3O6S
- Molecular weight
- 590.56
Names & synonyms
RS 39604RS39604HClRS 39604 HYDROCHLORIDE1-(4-Amino-5-Chloro-2-(3,5-Dimethoxyphenyl)Methyloxy)-3-(1-(2-Methylsulfonylamino)Ethyl)Piperidin-4-1-(4-Amino-5-chloro-2-(3,5-dimethoxyphenyl)methyloxy)-3-(1-(2-methylsulfonylamino)ethyl)piperidin-4-yl)propan-1-onehyd1-[4-Amino-5-chloro-2-(3,5-dimethoxyphenyl)methyloxy]-3-[[1-[2-methylsulphonylamino]ethyl]piperidin-4-yl]propan-1-one hydrochloride1-[4-Amino-5-Chloro-2-(3,5-Dimethoxyphenyl)Methyloxy]-3-[[1-[2-Methylsulphonylamino]Ethyl]Piperidin-4-Yl]Propan-1-One Hydrochloride
Database identifiers
- CAS
167710-87-4- PubChem CID
- 19081934
- DTXSID
DTXSID5042619- ChEMBL
CHEMBL586946- ChEBI
CHEBI:64081- UNII
- 22Z87M1U21
Properties
Physicochemical properties
- storage temp.
- Store at RT
- solubility
- 100 mM · Soluble to 100 mM in DMSO
- form
- Powder
- color
- White to off-white
- FDA UNII
- 22 Z87M1U21 · 22Z87M1U21
Chemistry & industry
Applications
UsesRS 39604 Hydrochloride is a potent, selective and orally active 5-HT4 receptor antagonist.
Suppliers8 total
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [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）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Additional notes
DefinitionChEBI: RS 39604 hydrochloride is a hydrochloride salt obtained by mixing equimolar amounts of RS 39604 with hydrochloric acid. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies. It has a role as a serotonergic antagonist. It contains a RS 39604(1+).
Related reactions
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Compound notes
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