Amiselimod hydrochloride - ≥98% , Sphingosine 1-phosphate receptor modulator, CAS No.942398-84-7, Sphingosine 1-phosphate receptor modulator

CAS: 942398-84-7 Cat. No.: A412394 分子式: C₁₉H₃₁ClF₃NO₃ 分子量: 413.90 PubChem CID: 67418070

GRADE & PURITY ≥98%

Synonyms

MT-1303 hydrochlorideMT-1303 hydrochloride | E73478 | SY035738 | BS-17941 | Q27274184 | Amiselimod hydrochloride (USAN) | Amiselimod HCl, MT-1303 HCl | Amiselimod HCl | D10904 | SCHEMBL2463915 | MT-1303 | UNII-AY898D6RU1 | A901183 | BCP18775 | HY-16734A |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

MT-1303 hydrochlorideMT-1303 hydrochloride | E73478 | SY035738 | BS-17941 | Q27274184 | Amiselimod hydrochloride (USAN) | Amiselimod HCl, MT-1303 HCl | Amiselimod HCl | D10904 | SCHEMBL2463915 | MT-1303 | UNII-AY898D6RU1 | A901183 | BCP18775 | HY-16734A |

仕様と純度

≥98%

生化学的・生理学的メカニズム

Amiselimod hydrochloride (MT-1303) is a novel modulator of sphingosine 1-phosphate receptor-1 (S1P1). Amiselimod hydrochloride reduces the bradycardia effects associated with fingolimod and other S1P receptor modulators.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

MODULATOR

作用メカニズム

Sphingosine 1-phosphate receptor modulator

純度

≥98%

名前と識別子

• パブケム・シド: 528773941
• カノニカル・スマイル: CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.Cl
• IUPAC Name: 2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
• InChIKey: GEDVJGOVRLHFQG-UHFFFAOYSA-N
• INCHI: 1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H
• 異性体SMILES: CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.Cl
• PubChem CID: 67418070
• 分子量: 413.90

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - 1,2-aminoalcohol - Ether - Organic nitrogen compound - Hydrochloride - Primary amine - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organopnictogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 413.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 413.194 Da
• Monoisotopic Mass: 413.194 Da
• Topological Polar Surface Area: 75.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 376.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3