Name: MRT67307 - Moligand™, 10mM in DMSO , Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1, CAS No.1190378-57-4, Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1
Brand: Aladdin Scientific
SKU: M420841
Availability: InStock

MRT67307 - Moligand™, 10mM in DMSO , Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1, CAS No.1190378-57-4, Inhibitor of inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1

CAS: 1190378-57-4 Cat. No.: M420841 Formule: C₂₆H₃₆N₆O₂ Poids moléculaire: 464.6

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MRT67307 - Moligand™, 10mM in DMSO CAS No(1190378-57-4) by Aladdin Scientific

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DISPONIBLE À COMMANDE

QUALITÉ & PURETÉ Moligand™ ? 10mM in DMSO

Synonyms

BS-14599 | NCGC00163978-01 | AKOS030526302 | N-{3-[(5-Cyclopropyl-2-{[3-(Morpholin-4-Ylmethyl)phenyl]amino}pyrimidin-4-Yl)amino]propyl}cyclobutanecarboxamide | N-{3-[(5-Cyclopropyl-2-{3-[(morpholin-4-yl)methyl]anilino}pyrimidin-4-yl)amino]propyl}cyclobuta

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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 Calculateurs de solution Avis

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Pourquoi cette qualité

Moligand™, 10mM in DMSO 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 -80°C Expédition Dry ice packs + Cold packs. 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™, 10mM in DMSO

Mécanismes biochimiques et physiologiques

MRT67307 is an aminopyrimidine derivative with an IC 50 value of 19. It is known to induce TLR-mediated production of anti-inflammatory cytokines. In addition, MRT67307 can prevent the secretion of proinflammatory cytokines. MRT67307 is a dual inhibitor o

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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 inhibitor of nuclear factor kappa B kinase subunit epsilon;Inhibitor of TANK binding kinase 1

Noms et identifiants

Pubchem Sid

528765564

Sourires canoniques

C1CC(C1)C(=O)NCCCNC2=NC(=NC=C2C3CC3)NC4=CC=CC(=C4)CN5CCOCC5

IUPAC Name

N-[3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

InChIKey

UKBGBACORPRCGG-UHFFFAOYSA-N

INCHI

1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)

Isomères SMILES

C1CC(C1)C(=O)NCCCNC2=NC(=NC=C2C3CC3)NC4=CC=CC(=C4)CN5CCOCC5

Poids moléculaire

464.6

Reaxy-Rn

19608535

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19608535&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)

Données qualité spécifiques au lot. Saisissez votre numéro de lot pour récupérer le COA exact.

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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 Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Aniline and substituted anilines Benzylamines Secondary alkylarylamines Aminopyrimidines and derivatives Aralkylamines Morpholines Imidolactams Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aminopyrimidine - Secondary aliphatic/aromatic amine - Aralkylamine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Oxacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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)

IKBKE Tchem Inhibitor of nuclear factor kappa-B kinase subunit epsilon (1 Activities)

Discover Target: IKBKE

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

TBK1 Tchem Serine/threonine-protein kinase TBK1 (2 Activities)

Discover Target: TBK1

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

ULK1 Tchem Serine/threonine-protein kinase ULK1 (1 Activities)

Discover Target: ULK1

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

ULK2 Tchem Serine/threonine-protein kinase ULK2 (1 Activities)

Discover Target: ULK2

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

PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)

Discover Target: PDK1

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

AAK1 Tchem Adaptor-associated kinase (1053 Activities)

Discover Target: AAK1

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

STK17B Tchem Serine/threonine-protein kinase 17B (773 Activities)

Discover Target: STK17B

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

BMP2K Tchem BMP-2-inducible protein kinase (723 Activities)

Discover Target: BMP2K

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

STK17A Tchem Serine/threonine-protein kinase 17A (1791 Activities)

Discover Target: STK17A

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

HeLa (62764 Activities)

Explore this target

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

MARK3 Tchem Serine/threonine-protein kinase c-TAK1 (2532 Activities)

Discover Target: MARK3

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

TBK1 Tchem Serine/threonine-protein kinase TBK1 (3746 Activities)

Discover Target: TBK1

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

ULK2 Tchem Serine/threonine-protein kinase ULK2 (652 Activities)

Discover Target: ULK2

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

MARK4 Tchem MAP/microtubule affinity-regulating kinase 4 (1536 Activities)

Discover Target: MARK4

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

NUAK1 Tchem NUAK family SNF1-like kinase 1 (1769 Activities)

Discover Target: NUAK1

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

ULK1 Tchem Serine/threonine-protein kinase ULK1 (1002 Activities)

Discover Target: ULK1

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

NUAK2 Tchem NUAK family SNF1-like kinase 2 (630 Activities)

Discover Target: NUAK2

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

Cibles associées (non humaines)

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:

Propriétés chimiques et physiques

Poids moléculaire	464.600 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	464.29 Da
Monoisotopic Mass	464.29 Da
Topological Polar Surface Area	91.400 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	637.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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Avis

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