Madrasin - 2mM in DMSO , CAS No.374913-63-0

CAS: 374913-63-0 Cat. No.: M423689 Formula: C₁₆H₁₇N₅O₂ Peso molecolare: 311.34 Numero EC: 110-126-9

GRADE & PURITY 2mM in DMSO

Synonyms

DDD001075874(3H)​-​Pyrimidinone,2-​[(7-​methoxy-​4-​methyl-​2-​quinazolinyl)​amino]​-​5,​6-​dimethyl-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

Madrasin Madrasin (DDD00107587) is a potent and cell-penetrant pre-mRNA splicing inhibitor. Madrasin interferes with the early stages of spliceosome assembly and stalls spliceosome assembly at the A complex.

Specifications

Sinonimi

DDD001075874(3H)​-​Pyrimidinone,2-​[(7-​methoxy-​4-​methyl-​2-​quinazolinyl)​amino]​-​5,​6-​dimethyl-

Specifiche e purezza

2mM in DMSO

Meccanismi biochimici e fisiologici

Madrasin (DDD00107587) is a potent and cell-penetrant pre-mRNA splicing inhibitor. Madrasin interferes with the early stages of spliceosome assembly and stalls spliceosome assembly at the A complex.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

• Sorrisi canonici: CC1=C(N=C(NC1=O)NC2=NC(=C3C=CC(=CC3=N2)OC)C)C
• IUPAC Name: 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-4,5-dimethyl-1H-pyrimidin-6-one
• InChIKey: QQJIYKXTEMDJFM-UHFFFAOYSA-N
• INCHI: 1S/C16H17N5O2/c1-8-9(2)17-16(20-14(8)22)21-15-18-10(3)12-6-5-11(23-4)7-13(12)19-15/h5-7H,1-4H3,(H2,17,18,19,20,21,22)
• Isomeri SMILES: CC1=C(N=C(NC1=O)NC2=NC(=C3C=CC(=CC3=N2)OC)C)C
• Peso molecolare: 311.34
• Reaxy-Rn: 34187617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34187617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Anisoles Pyrimidones Aminopyrimidines and derivatives Alkyl aryl ethers Hydropyrimidines Vinylogous amides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Anisole - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Ether - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• External Descriptors: Not available

Data sources

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

Obiettivi associati (umani)

XBP1 Tchem X-box-binding protein 1 (1 Activities)

Discover Target: XBP1

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

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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CLK1 Tchem Dual specificty protein kinase CLK1 (2189 Activities)

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

HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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HTT Tchem Huntingtin (19182 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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

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microRNA 21 (64692 Activities)

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XBP1 Tchem X-box-binding protein 1 (1001 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Obiettivi associati (non umani)

Cruzipain (33337 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Ddit3 DNA damage-inducible transcript 3 protein (953 Activities)

Discover Target: Ddit3

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 311.340 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 311.138 Da
• Monoisotopic Mass: 311.138 Da
• Topological Polar Surface Area: 88.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 545.000
• 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

Domande frequenti

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 374913-63-0, the molecular formula is C16H17N5O2, and the molecular weight is 311.34 g/mol. InChIKey QQJIYKXTEMDJFM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.