CAS Number103628-46-2
Synonyms3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide; Sumatriptan; SUMATRIPTAN BASE; MFCD00902856; 1-{3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide; IMITREX; IMIGRAN
Molecular FormulaC14H21N3O2S
Molecular Weight295.40
Purity98%
Density1.2±0.1 g/cm3
Boiling Point497.7±55.0 °C at 760 mmHg
Melting Point169-171°C
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 103628-46-2 |
| Catalog No. | 2A-9012544 |
| Chinese Name | 舒马曲坦 |
| Synonyms | 3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide; Sumatriptan; SUMATRIPTAN BASE; MFCD00902856; 1-{3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide; IMITREX; IMIGRAN |
| Molecular Formula | C14H21N3O2S |
| Molecular Weight | 295.40 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 497.7±55.0 °C at 760 mmHg |
| Melting Point | 169-171°C |
| Appearance | powder |
| Water Solubility | 21.4 mg/mL |
| Storage Condition | 2-8°C |
| Application | Sumatriptan (GR 43175 free base) is an orally active 5-HT1 receptor agonist with Kis of 17 nM, 27 nM and 100 nM for 5-HT1D, 5-HT1B and 5-HT1A receptors, respectively. Sumatriptan can be used in migrai |
| HTC | 29280090 |
| SMILES | [S](=O)(=O)(NC)Cc1cc2c([nH]cc2CCN(C)C)cc1 |
| InChI | 1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 |
| InChI Key | KQKPFRSPSRPDEB-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/12544_1_103628_46_2.pdf |
| Use of | Sumatriptan (GR 43175 free base) is an orally active 5-HT1 receptor agonist with Kis of 17 nM, 27 nM and 100 nM for 5-HT1D, 5-HT1B and 5-HT1A receptors, respectively. Sumatriptan can be used for migraine headache research[1][2]. Properties Name sumatriptan Synonym More Synonyms Sumatriptan Biological Activity Description Sumatriptan (GR 43175 free base) is an orally active 5-HT1 receptor agonist with Kis of 17 nM, 27 nM and 100 nM for 5-HT1D, 5-HT1B and 5-HT1A receptors, respectively. Sumatriptan can be used for migraine headache research[1][2]. Related Catalog Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor 5-HT1A Receptor:100 nM (Ki) 5-HT1B Receptor:27 nM (Ki) 5-HT1D Receptor:17 nM (Ki) References [1]. S J Peroutka, et al. Sumatriptan (GR 43175) interacts selectively with 5-HT1B and 5-HT1D binding sites. Eur J Pharmacol. 1989 Apr 12;163(1):133-6. [2]. K L Dechant, et al. Sumatriptan. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic efficacy in the acute treatment of migraine and cluster headache. Drugs. 1992 May;43(5):776-98. Chemical & Physical Properties Molecular Formula C14H21N3O2S Exact Mass 295.135437 PSA 73.58000 Index of Refraction 1.610 InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1H-Indole-5-methanesulfonamide, 3-(2-(dimethylamino)ethyl)-N-methyl- CAS REGISTRY NUMBER : 103628-46-2 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C14-H21-N3-O2-S MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Cardiac - arrhythmias (including changes in conduction) Cardiac - EKG changes not diagnostic of specified effects REFERENCE : BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 304,1415,1992 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Human - man DOSE/DURATION : 429 ug/kg/2W-I TOXIC EFFECTS : Behavioral - muscle weakness REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 341,1091,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Behavioral - muscle weakness REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 341,1091,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Human - woman DOSE/DURATION : 240 ug/kg/1H-I TOXIC EFFECTS : Peripheral Nerve and Sensation - sensory change involving peripheral nerve Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - hallucinations, distorted perceptions REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 343,1105,1994 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Behavioral - ataxia Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 14,959,1995 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - tremor Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 14,959,1995 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - respiratory stimulation Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 14,959,1995 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - ataxia Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 14,959,1995 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : REFERENCE : HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 14,959,1995 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 14,959,1995 ** TUMORIGENIC DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Endocrine - tumors Reproductive - Tumorigenic effects - testicular tumors REFERENCE : HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 14,959,1995 Safety Information Hazard Codes Xi WGK Germany 3 RTECS NL9482200 HS Code 29280090 Synthetic Route (4,4-Dimethoxy-... 19718-92-4 4-Hydrazino-N-m... 139272-29-0 Sumatriptan 103628-46-2 1-(3-(2-(dimeth... 795298-24-7 Sumatriptan 103628-46-2 3-(2-dimethylam... 648909-52-8 Sumatriptan 103628-46-2 Precursor & DownStream Precursor 9 CAS#:19718-92-4 (4,4-Dimethoxy-... CAS#:139272-29-0 4-Hydrazino-N-m... CAS#:795298-24-7 1-(3-(2-(dimeth... CAS#:648909-52-8 3-(2-dimethylam... DownStream 2 CAS#:212069-94-8 Sumatriptan N-Oxide CAS#:103628-48-4 Sumatriptan suc... |
| Transport Info | Product Name: Sumatriptan |
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