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Basic information
- CAS
144625-51-4- Standard SMILES
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21- InChIKey
MOZPSIXKYJUTKI-UHFFFAOYSA-N- Molecular formula
- C19H27N3O4S
- Average molar mass
- 393.509 g/mol
- Monoisotopic mass
- 393.17222734
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxylic acid, 1-methyl-, (1-(2-((methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl ester
- IUPAC
- (1-{2-[(Methanesulfonyl)amino]ethyl}piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate
- English name
- GR 113808
- Molecular formula
- C19H27N3O4S
- Molecular weight
- 393.5
Names & synonyms
GR 113808GR113808, selective 5-HT4 antagonist1-[2-(METHYLSULFONYL)-AMINO]ETHYL-4-PIPERIDINYLMETHYL 1-METHYL-1H-INDOLE-3-CARBOXYLATE1-Methyl-1H-indole-3-carboxylicacid,[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methyles1-METHYL-1H-INDOLE-3-CARBOXYLIC ACID, [1-[2-[(METHYLSULFONYL)AMINO]ETHYL]-4-PIPERIDINYL]METHYL ESTER1H-Indole-3-carboxylic acid, 1-methyl-, [1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl esterGR 1138081-METHYL-1H-INDOLE-3-CARBOXYLIC ACID, [1-[2-[(METHYLSULFONYL)AMINO]ETHYL]-4-PIPERIDINYL]METHYL ESTER1-[2-(METHYLSULFONYL)-AMINO]ETHYL-4-PIPERIDINYLMETHYL 1-METHYL-1H-INDOLE-3-CARBOXYLATEGR 113808
Database identifiers
- CAS
144625-51-4- PubChem CID
- 119376
- DTXSID
DTXSID40162772- ChEMBL
CHEMBL33884- ChEBI
CHEBI:73380- UNII
- ZT350OYT3I
- Nikkaji
- J551.011B
Properties
Physicochemical properties
- Boiling point
- 572.3 · 572.3±53.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 44 mg/mL, · DMSO: 44 mg/mL, soluble
- form
- solid
- pka
- 11.22 · 11.22±0.40(Predicted)
- color
- white
- InChI
- 1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
- InChIKey
- MOZPSIXKYJUTKI-UHFFFAOYSA-N
- FDA UNII
- 350 OYT3I · ZT350OYT3I
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · 3
- 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
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesGR 113808 has been used as a serotonin receptor 4 (5-HT4R) blocker to study its effects on the calcium (Ca2+) transients in rat ventricular cardiomyocytes. It has also been used as a 5-HT4R antagonist to study its effects on de novo enteric neurogenesis in post-embryonic zebrafish.
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
上海立崎生物医学研究中心18014399201 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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