메소프람 - ≥98%(HPLC) , CAS No.189940-24-7

CAS: 189940-24-7 Cat. No.: M288757 분자식: C₁₄H₁₉NO₄ 분자량: 265.31

GRADE & PURITY ≥98%(HPLC)

Synonyms

BDBM50308512 | AKOS024457404 | SCHEMBL450823 | SH636 | SH-636 | [R]-메소프람 | (5R)-5-(4-Methoxy-3-프로폭시페닐)-5-methyl-1,3-옥사졸리딘-2-원 | (R)-5-(4-Methoxy-3-프로폭시페닐)-5-methyl-2-옥사졸리디논 | 닥살리프람 | DAXALIPRAM [WHO-DD] | ZK 117137 | 2

Storage

2-8°C에서 보관

Shipped In

젖은 얼음

Specifications

동의어

BDBM50308512 | AKOS024457404 | SCHEMBL450823 | SH636 | SH-636 | [R]-메소프람 | (5R)-5-(4-Methoxy-3-프로폭시페닐)-5-methyl-1,3-옥사졸리딘-2-원 | (R)-5-(4-Methoxy-3-프로폭시페닐)-5-methyl-2-옥사졸리디논 | 닥살리프람 | DAXALIPRAM [WHO-DD] | ZK 117137 | 2

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

경구용 활성 포스포디에스테라제(PDE) 4 억제제. 시험관 내에서 Th1 세포 증식을 억제하고 IFN-γ, TNF-α, IL-10 및 iNOSin의 생성을 감소시킵니다. 배란을 유발하고 실험용 자가면역성 뇌척수염 및 쥐 대장균에 대한 효능을 나타냅니다

보관 조건

2-8°C에서 보관

배송

젖은 얼음

작업 유형

INHIBITOR

순수함

≥98%(HPLC)

이름과 식별자

• 정식 스마일: CCCOC1=C(C=CC(=C1)C2(CNC(=O)O2)C)OC
• IUPAC Name: (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
• InChIKey: PCCPERGCFKIYIS-AWEZNQCLSA-N
• INCHI: 1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
• 이성체 SMILES: CCCOC1=C(C=CC(=C1)[C@@]2(CNC(=O)O2)C)OC
• 분자량: 265.31
• Reaxy-Rn: 13578130
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13578130&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Oxazolidinones Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Oxazolidinone - Oxazolidine - Carbamic acid ester - Carbonic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

관련 대상(인간)

PDE4B Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4B (2 Activities)

Discover Target: PDE4B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4B Tclin Phosphodiesterase 4B (2748 Activities)

Discover Target: PDE4B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A549 (127892 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 26.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 26.53, Max Conc. mM: 100
• 분자량: 265.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 265.131 Da
• Monoisotopic Mass: 265.131 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 323.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 189940-24-7, the molecular formula is C14H19NO4, and the molecular weight is 265.31 g/mol. InChIKey PCCPERGCFKIYIS-AWEZNQCLSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.