DMX-5084 - ≥98% , CAS No.2306178-56-1

CAS: 2306178-56-1 Cat. No.: D412287 Summenformel: C21H19N3O3 Molekulargewicht: 361.39
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GRADE & PURITY ≥98%
Synonyms
4H-​Pyrrolo[2,​3-​d]​pyrimidin-​4-​one,3,​7-​dihydro-​5-​[4-​(2-​methoxyethoxy)​phenyl]​-​7-​phenyl-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
1mg
D412287-1mg
Auf Bestellung · 8–12 Wochen
134,41€
5mg
D412287-5mg
—
3 Auf Lager
468,49€
10mg
D412287-10mg
—
3 Auf Lager
749,64€
25mg
D412287-25mg
—
2 Auf Lager
1.330,16€
50mg
D412287-50mg
—
2 Auf Lager
2.502,47€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Übersicht

Information

DMX-5084 DMX-5804 is a potent, orally active and selective inhibitor of Mitogen-activated protein kinase kinase kinase kinase-4 (MAP4K4) with IC50 of 3 nM for human MAP4K4. DMX-5804 is more potent on human MAP4K4 with pIC50 of 8.55 than MINK1/MAP4K6 and TNIK/MAP4K7 with pIC50 of 8.18 and 7.96, respectively.


Targets

human MAP4K4 (Cell-free assay); human MAP4K4 (Cell-free assay); MINK1/MAP4K6 (Cell-free assay); TNIK/MAP4K7 (Cell-free assay) 8.55(pIC50) ;3 nM; 8.18(pIC50); 7.96(pIC50)

Specifications

Synonyme
4H-​Pyrrolo[2,​3-​d]​pyrimidin-​4-​one,3,​7-​dihydro-​5-​[4-​(2-​methoxyethoxy)​phenyl]​-​7-​phenyl-
Spezifikationen & Reinheit
≥98%
Biochemische und physiologische Mechanismen
DMX-5804 is a potent, orally active and selective inhibitor of Mitogen-activated protein kinase kinase kinase kinase-4 (MAP4K4) with IC50 of 3 nM for human MAP4K4. DMX-5804 is more potent on human MAP4K4 with pIC50 of 8.55 than MINK1/MAP4K6 and TNIK/MAP4K
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Aktionsart
INHIBITOR
Reinheit
≥98%
Produkteigenschaften
ALogP
3.122
hba_count
4
HBD-Zahl
1
Rotationsfähige Bindung
6
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504773495
Kanonisches Lächeln
COCCOC1=CC=C(C=C1)C2=CN(C3=C2C(=O)NC=N3)C4=CC=CC=C4
IUPAC Name
5-[4-(2-methoxyethoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
InChIKey
FUSHFOGORKZNNQ-UHFFFAOYSA-N
INCHI
1S/C21H19N3O3/c1-26-11-12-27-17-9-7-15(8-10-17)18-13-24(16-5-3-2-4-6-16)20-19(18)21(25)23-14-22-20/h2-10,13-14H,11-12H2,1H3,(H,22,23,25)
Molekulargewicht
361.39
Reaxy-Rn
34268902
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34268902&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
SuperclassOrganoheterocyclic compounds
KlassePyrroles
SubclassSubstituted pyrroles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrroles
Alternative Parents Pyrrolo[2,3-d]pyrimidines  Phenoxy compounds  Phenol ethers  Pyrimidones  Alkyl aryl ethers  Vinylogous amides  Heteroaromatic compounds  Lactams  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-phenylpyrrole - 3-phenylpyrrole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Phenoxy compound - Phenol ether - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDatumArtikel
H2206505Certificate of AnalysisMay 12, 2025 D412287
H2206562Certificate of AnalysisMay 12, 2025 D412287
H2206563Certificate of AnalysisMay 12, 2025 D412287
H2206564Certificate of AnalysisMay 12, 2025 D412287
Chemische und physikalische Eigenschaften
LöslichkeitSolubility (25°C) In vitro DMSO: 72 mg/mL (199.23 mM); Ethanol: 1.5 mg/mL (4.15 mM); Water: Insoluble;
DMSO (mg/ml) Maximale Löslichkeit72
DMSO (mM) Maximale Löslichkeit199.230747945433
Wasser (mg/ml) Maximale Löslichkeit<1
Molekulargewicht361.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass361.143 Da
Monoisotopic Mass361.143 Da
Topological Polar Surface Area64.900 Ų
Heavy Atom Count27
Formal Charge0
Complexity527.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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