Padsevonil - ≥98% , Synaptic vesicle protein modulator, CAS No.1294000-61-5, Synaptic vesicle protein modulator

CAS: 1294000-61-5 Cat. No.: P646713 분자식: C₁₄H₁₄ClF₅N₄O₂S 분자량: 432.80 PubChem CID: 52911611

GRADE & PURITY ≥98%

Synonyms

Padsevonil [USAN] | Padsevonil | Padsevonil [INN] | UCB1415943-000 | UCB0942 | UCB-0942 | 0R1HN52K0N

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Padsevonil (UCB0942) is a first-in-class and potent antiepileptic agent. Padsevonil can be used for the research of epilepsy.

Form:Solid

Specifications

동의어

Padsevonil [USAN] | Padsevonil | Padsevonil [INN] | UCB1415943-000 | UCB0942 | UCB-0942 | 0R1HN52K0N

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Padsevonil (UCB0942) is a first-in-class and potent antiepileptic agent. Padsevonil can be used for the research of epilepsy.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

PARTIAL AGONIST

작동 메커니즘

Synaptic vesicle protein modulator

순수함

≥98%

제품 특성

ALogP

2.5

이름과 식별자

정식 스마일

COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3CC(CC3=O)CC(F)(F)Cl

IUPAC Name

(4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one

InChIKey

DCXFIOLWWRXEQH-SSDOTTSWSA-N

INCHI

1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1

이성체 SMILES

COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3C[C@H](CC3=O)CC(F)(F)Cl

대체 CAS

1294000-61-5

PubChem CID

52911611

MeSH 용어

(4R)-4-(2-Chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)-2-pyrrolidinone;2-Pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)-1,3,4-thiadia

분자량

432.80

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Pyrrolidine-2-ones N-alkylpyrrolidines Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Dialkyl ethers Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Carbonyl compounds Alkyl chlorides Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-substituted imidazole - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Thiadiazole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (231.05 mM);Water : < 0.1 mg/mL (insoluble)
• 분자량: 432.800 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 432.045 Da
• Monoisotopic Mass: 432.045 Da
• Topological Polar Surface Area: 88.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 572.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1