CAS 13187-06-9|Pimethixene maleate
Introduction：Basic information about CAS 13187-06-9|Pimethixene maleate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pimethixene maleate | ||
|---|---|---|---|
| CAS Number | 13187-06-9 | Molecular Weight | 409.50 |
| Density | 1.192g/cm3 | Boiling Point | 439.7ºC at 760mmHg |
| Molecular Formula | C23H23NO4S | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 219.7ºC |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 1-methyl-4-[thioxanthen-9-ylidene]piperidine maleate salt |
|---|---|
| Synonym | More Synonyms |
Pimethixene maleate BiologicalActivity
| Description | Pimethixene maleate is antihistamine and antiserotonergic compound, acts as an antimigraine agent.Pimethixene maleate is a highly potent antagonist of 5-HT1A, 5-HT2A, 5-HT2B, 5-HT2C, histamine H1, dopamine D2 and D4.4 as well as muscarinic M1 and M2 receptors, with pKis of 7.63, 10.22, 10.44, 8.42, 10.14, 8.19, 7.54, 8.61 and 9.38, respectively[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>Neuronal Signaling >>mAChRSignaling Pathways >>Immunology/Inflammation >>Histamine ReceptorSignaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>GPCR/G Protein >>Dopamine ReceptorSignaling Pathways >>Neuronal Signaling >>Dopamine ReceptorResearch Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT ReceptorSignaling Pathways >>GPCR/G Protein >>Histamine Receptor |
| Target | pKi: 7.63 (5-HT1A receptor), 10.22 (5-HT2A receptor), 10.44 (5-HT2B receptor), 8.42 (5-HT2C receptor), 10.14 (histamine H1 receptor), 8.19 (D2 receptor), 7.54 (DD4.4 receptor), 8.61 (M1 receptor), 9.38 (M2 receptor)[1] |
| References | [1]. Schmitz B, et al. BF-1--a novel selective 5-HT2B receptor antagonist blocking neurogenic dural plasma protein extravasation in guinea pigs. Eur J Pharmacol. 2015 Mar 15;751:73-80. |
Chemical & Physical Properties
| Density | 1.192g/cm3 |
|---|---|
| Boiling Point | 439.7ºC at 760mmHg |
| Molecular Formula | C23H23NO4S |
| Molecular Weight | 409.50 |
| Flash Point | 219.7ºC |
| Exact Mass | 409.13500 |
| PSA | 103.14000 |
| LogP | 4.32840 |
| Vapour Pressure | 5.08E-17mmHg at 25°C |
| InChIKey | IPANUAHQWFDVAG-BTJKTKAUSA-N |
| SMILES | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.O=C(O)C=CC(=O)O |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1186 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANAEA3 Annals of Allergy. (American College of Allergists, POB 20671, Bloomington, MN 55420) V.1- 1943- Volume(issue)/page/year: 21,233,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANAEA3 Annals of Allergy. (American College of Allergists, POB 20671, Bloomington, MN 55420) V.1- 1943- Volume(issue)/page/year: 21,233,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 433 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANAEA3 Annals of Allergy. (American College of Allergists, POB 20671, Bloomington, MN 55420) V.1- 1943- Volume(issue)/page/year: 21,233,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 31400 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANAEA3 Annals of Allergy. (American College of Allergists, POB 20671, Bloomington, MN 55420) V.1- 1943- Volume(issue)/page/year: 21,233,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANAEA3 Annals of Allergy. (American College of Allergists, POB 20671, Bloomington, MN 55420) V.1- 1943- Volume(issue)/page/year: 21,233,1963 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9100 mg/kg/13W-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Related to Chronic Data - death
- REFERENCE :
- ANAEA3 Annals of Allergy. (American College of Allergists, POB 20671, Bloomington, MN 55420) V.1- 1943- Volume(issue)/page/year: 21,233,1963
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | 22-36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | XO0782000 |
| HS Code | 2934999090 |
Customs
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Synonyms
| 1-Methyl-4-(thioxanthen-9-ylidene)piperidine |
| PIMETHIXEN MALEATE SALT |
| 1-methyl-4-(9H-thioxanthen-9-ylidene)piperidinium hydrogen maleate |
| 9-(1-methyl-4-piperidylene)thioxanthenemaleate |
| 9-(1-methyl-4-piperidylene)-thioxanthenmaleate |
| PIMETHIXENE MALEATE SALT |
| bp-400 |
| 9-(n-methyl-piperidyliden-4)thioxanemaleate |
| Pimethixene maleic salt |
| PIMETHIXENE MALEATE |
