CP-671305 - 10mM in DMSO , CAS No.445295-04-5

CAS: 445295-04-5 Cat. No.: C424036 Fórmula: C23H19FN2O7 Peso molecular: 454.4
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
NCGC00248048-01 | 9LH034R9R9 | CAS-445295-04-5 | CCG-15109 | CNIGFESSDPOCKS-CYBMUJFWSA-N | SCHEMBL2154519 | AKOS040758617 | DTXCID4027282 | UNII-9LH034R9R9 | CP671305 | CP-671305 | (R)-2-(4-((2-(benzo[d][1,3]dioxol-5-yloxy)nicotinamido)methyl)-3-fluorophe
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemanha (EU)
USA*
Price
Qty
1ml
C424036-1ml
—
2 Em stock

143,09€

209,91€
Gravar 66,82 € (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

Information

CP-671305 is a potent, selective and orally active inhibitor ofphosphodiesterase-4-D (PDE4-D)with IC50 of 3 nM.

Targets

PDE4-D (Cell-free assay) 3 nM

Specifications

Sinónimos
NCGC00248048-01 | 9LH034R9R9 | CAS-445295-04-5 | CCG-15109 | CNIGFESSDPOCKS-CYBMUJFWSA-N | SCHEMBL2154519 | AKOS040758617 | DTXCID4027282 | UNII-9LH034R9R9 | CP671305 | CP-671305 | (R)-2-(4-((2-(benzo[d][1,3]dioxol-5-yloxy)nicotinamido)methyl)-3-fluorophe
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e fisiológicos
CP-671305 is a potent, selective and orally active inhibitor of phosphodiesterase-4-D (PDE4-D) with IC50 of 3 nM.
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Tipo de ação
INHIBITOR
Propriedades do produto
ALogP3.493
hba_count7
Contagem HBD1
Ligação rotativa8
Nomes e identificadores
Pubchem Sid528763805
Sorrisos canónicosCC(C(=O)O)OC1=CC(=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC4=C(C=C3)OCO4)F
IUPAC Name(2R)-2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]propanoic acid
InChIKeyCNIGFESSDPOCKS-CYBMUJFWSA-N
INCHI1S/C23H19FN2O7/c1-13(23(28)29)32-15-5-4-14(18(24)9-15)11-26-21(27)17-3-2-8-25-22(17)33-16-6-7-19-20(10-16)31-12-30-19/h2-10,13H,11-12H2,1H3,(H,26,27)(H,28,29)/t13-/m1/s1
SMILES isoméricas C[C@H](C(=O)O)OC1=CC(=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC4=C(C=C3)OCO4)F
Peso molecular 454.4
Reaxy-Rn 14109925
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14109925&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
Subclass2-phenoxypropionic acids
Intermediate Tree Nodes Not available
Direct Parent2-phenoxypropionic acids
Alternative Parents Phenoxyacetic acid derivatives  Diarylethers  Nicotinamides  Benzodioxoles  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Fluorobenzenes  Aryl fluorides  Heteroaromatic compounds  Secondary carboxylic acid amides  Oxacyclic compounds  Acetals  Azacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-phenoxypropionic acid - Phenoxyacetate - Diaryl ether - Nicotinamide - Benzodioxole - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDE4A Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDE4B Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDE4A Tclin Phosphodiesterase 4A (1943 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE4B Tclin Phosphodiesterase 4B (2748 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Pde4d Phosphodiesterase 4D (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
DMSO (mg/mL) Solubilidade máxima91
DMSO (mM) Solubilidade máxima200.264084507042
Água (mg/mL) Solubilidade máxima<1
Peso molecular454.400 g/mol
XLogP33.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass454.118 Da
Monoisotopic Mass454.118 Da
Topological Polar Surface Area116.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity683.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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