DMX-5084 - 10mM in DMSO , CAS No.2306178-56-1

CAS: 2306178-56-1 Cat. No.: D422736 分子式: C21H19N3O3 分子量: 361.39
注文可能
GRADE & PURITY 10mM in DMSO
Synonyms
4H-​Pyrrolo[2,​3-​d]​pyrimidin-​4-​one,3,​7-​dihydro-​5-​[4-​(2-​methoxyethoxy)​phenyl]​-​7-​phenyl-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
USA
ドイツ (EU)*
Price
Qty
1ml
D422736-1ml
2 在庫あり
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$164.90

$241.90
保存 $77.00 (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.

概要

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

同義語
4H-​Pyrrolo[2,​3-​d]​pyrimidin-​4-​one,3,​7-​dihydro-​5-​[4-​(2-​methoxyethoxy)​phenyl]​-​7-​phenyl-
仕様と純度
10mM in DMSO
生化学的・生理学的メカニズム
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
保管条件
Store at -80°C
入荷
Dry ice packs + Cold packs
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
INHIBITOR
製品の性質
ALogP
3.122
hba_count
4
HBD数
1
回転可能な結合
6
名前と識別子
パブケム・シド
カノニカル・スマイル
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)
分子量
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
分類Pyrroles
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
説明This 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
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
DMSO(mg / mL) 最大溶解度72
DMSO(mM) 最大溶解度199.230747945433
水(mg / mL) 最大溶解度<1
分子量361.400 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
ソリューション計算機
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