BAY 598 - Moligand™, ≥98%(HPLC) , Inhibitor of SET and MYND domain containing 2, CAS No.1906919-67-2, Inhibitor of SET and MYND domain containing 2

Name: BAY 598 - Moligand™, ≥98%(HPLC) , Inhibitor of SET and MYND domain containing 2, CAS No.1906919-67-2, Inhibitor of SET and MYND domain containing 2
Brand: Aladdin Scientific
SKU: B288058
Availability: InStock

CAS: 1906919-67-2 Cat. No.: B288058 Formule: C₂₂H₂₀Cl₂F₂N₆O₃ Poids moléculaire: 525.34

COA

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BAY 598 - Moligand™, ≥98%(HPLC) CAS No(1906919-67-2) by Aladdin Scientific

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DISPONIBLE À COMMANDE

QUALITÉ & PURETÉ Moligand™ ? ≥98%(HPLC)

Synonyms

N-[(4S)-1-[(Cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide | (S,Z)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Fiche de spécifications

Spécifications Noms et identifiants Documentation Données avancées Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques FAQ et articles Calculateurs de solution Avis

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Pourquoi cette qualité

Moligand™, ≥98%(HPLC) Moligand™ pour les flux de travail chromatographiques et analytiques sensibles nécessitant une interférence de ligne de base minimale.

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Stockage & expédition

Store at -20°C Expédition Ice chest + Ice pads. Consultez le COA spécifique au lot pour les spécifications exactes.

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Documents qualité

SDS, COA, fiche technique et fiche de spécifications disponibles au téléchargement. COA spécifique au lot accessible via la recherche par numéro de lot.

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Preuve documentaire

Cité dans 0 publications à comité de lecture couvrant la chromatographie, la synthèse organique et les réactions de couplage croisé.

Spécifications

Synonymes

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Potent and selective competitive inhibitor of SMYD2 lysine methyltransferase (IC50values are 27 and 58 nM for biochemical and cellular activity assays, respectively). Displays >100-fold selectivity for SMYD2 over a panel of 32 other methyltransferases inc

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of SET and MYND domain containing 2

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

528763393

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763393

Sourires canoniques

CCN(C1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO

IUPAC Name

N-[(4S)-2-[N-cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-hydroxyacetamide

InChIKey

OTTJIRVZJJGFTK-SFHVURJKSA-N

INCHI

1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1

Isomères SMILES

CCN([C@H]1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO

Poids moléculaire

525.34

Reaxy-Rn

35620749

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35620749&ln=

Documentation

📋 Fiche de données de sécurité (FDS)

Document complet couvrant les dangers, la manipulation, le stockage et la conformité réglementaire.

<<<<<<< HEAD Télécharger la SDS → ======= Télécharger la SDS → >>>>>>> release248-p3

✅ Certificat d'analyse (COA)

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📊 Fiche technique

Résumé de référence rapide des spécifications et applications du produit.

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🔬 Fiche de spécifications

Attributs de qualité complets et critères d'acceptation pour cette qualité.

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Données avancées

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Phenol ethers Phenoxy compounds Aryl chlorides Tertiary carboxylic acid amides Pyrazolines Guanidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Imines Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Primary alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Aryl chloride - Aryl halide - Pyrazoline - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Imine - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Primary alcohol - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors	Not available
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

Structure 3D

Cibles associées (humaines)

SMYD2 Tchem N-lysine methyltransferase SMYD2 (5 Activities)

Discover Target: SMYD2

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 Activities)

Discover Target: DNMT1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

F2R Tclin Proteinase-activated receptor 1 (1799 Activities)

Discover Target: F2R

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

U2OS (164939 Activities)

Explore this target

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

A2780 (11979 Activities)

Explore this target

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

KYSE-150 cell line (174 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

Explore this target

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

SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (390 Activities)

Discover Target: SETD7

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

PRMT1 Tchem Protein-arginine N-methyltransferase 1 (867 Activities)

Discover Target: PRMT1

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

PRMT3 Tchem Protein arginine N-methyltransferase 3 (219 Activities)

Discover Target: PRMT3

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

EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 Activities)

Discover Target: EHMT1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

PRMT6 Tchem Protein arginine N-methyltransferase 6 (321 Activities)

Discover Target: PRMT6

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

KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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

PRMT5 Tchem Protein arginine N-methyltransferase 5 (1273 Activities)

Discover Target: PRMT5

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

DOT1L Tchem Histone-lysine N-methyltransferase, H3 lysine-79 specific (648 Activities)

Discover Target: DOT1L

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

SUV39H1 Tchem Histone-lysine N-methyltransferase SUV39H1 (101 Activities)

Discover Target: SUV39H1

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

KMT5A Tchem N-lysine methyltransferase SETD8 (202 Activities)

Discover Target: KMT5A

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

SUV39H2 Tchem Histone-lysine N-methyltransferase SUV39H2 (524 Activities)

Discover Target: SUV39H2

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

SMYD2 Tchem N-lysine methyltransferase SMYD2 (395 Activities)

Discover Target: SMYD2

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

EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (2012 Activities)

Discover Target: EZH2

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

KMT2C Tbio Histone-lysine N-methyltransferase MLL3 (36 Activities)

Discover Target: KMT2C

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

SMYD3 Tchem Histone-lysine N-methyltransferase SMYD3 (260 Activities)

Discover Target: SMYD3

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

KMT5C Tchem Histone-lysine N-methyltransferase SUV420H2 (49 Activities)

Discover Target: KMT5C

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

KMT5B Tchem Histone-lysine N-methyltransferase SUV420H1 (49 Activities)

Discover Target: KMT5B

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

SETDB1 Tbio Histone-lysine N-methyltransferase SETDB1 (88 Activities)

Discover Target: SETDB1

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

NSD2 Tchem Histone-lysine N-methyltransferase NSD2 (803 Activities)

Discover Target: NSD2

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

NSD3 Tchem Histone-lysine N-methyltransferase NSD3 (55 Activities)

Discover Target: NSD3

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

SETD2 Tchem Histone-lysine N-methyltransferase SETD2 (119 Activities)

Discover Target: SETD2

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

PRMT8 Tchem Protein arginine N-methyltransferase 8 (122 Activities)

Discover Target: PRMT8

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

DNMT3A Tclin DNMT3A2/3L complex (48 Activities)

Discover Target: DNMT3A

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

PRMT7 Tchem Protein arginine N-methyltransferase 7 (86 Activities)

Discover Target: PRMT7

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

PRDM9 Tbio Histone-lysine N-methyltransferase PRDM9 (46 Activities)

Discover Target: PRDM9

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

NSD1 Tbio Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific (52 Activities)

Discover Target: NSD1

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

ASH1L Tbio Histone-lysine N-methyltransferase ASH1L (468 Activities)

Discover Target: ASH1L

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

BCDIN3D Tbio Pre-miRNA 5'-monophosphate methyltransferase (12 Activities)

Discover Target: BCDIN3D

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

METTL21A Tbio Protein N-lysine methyltransferase METTL21A (29 Activities)

Discover Target: METTL21A

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

VCPKMT Tbio Protein-lysine methyltransferase METTL21D (26 Activities)

Discover Target: VCPKMT

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

HEK-293T (167025 Activities)

Explore this target

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

DNMT3B Tchem DNMT3B-DNMT3L complex (25 Activities)

Discover Target: DNMT3B

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

Cibles associées (non humaines)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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 Number	Certificate Type	Date	Article
L2406082	Certificate of Analysis	Dec 12, 2024	B288058
J2119233	Certificate of Analysis	Aug 09, 2024	B288058
J2119236	Certificate of Analysis	Aug 09, 2024	B288058
J2119237	Certificate of Analysis	Aug 09, 2024	B288058

Propriétés chimiques et physiques

Solubilité	Solvent:DMSO, Max Conc. mg/mL: 52.53, Max Conc. mM: 100
Poids moléculaire	525.300 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	524.094 Da
Monoisotopic Mass	524.094 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	854.000
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

FAQ et articles

BAY 598 SMYD2 Inhibitor: Handling & Treatment Protocol

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Epigenetics Cell-Based Assay SMYD2 Inhibitor Lysine Methyltransferase Inhibitor Protocol

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BAY 598 - Moligand™, ≥98%(HPLC) , Inhibitor of SET and MYND domain containing 2, CAS No.1906919-67-2, Inhibitor of SET and MYND domain containing 2

Stockage & expédition

Documents qualité

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Documentation

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