Mirin - ≥99%(HPLC) , CAS No.1198097-97-0

CAS: 1198097-97-0 Cat. No.: M288285 Peso molecular: 220.25 Número EC: 878-772-0

GRADE & PURITY ≥99%(HPLC)

Synonyms

AC-32950 | AS-55824 | CCG-208657 | SCHEMBL21296287 | (5Z)-2-Amino-5-[(4-hydroxyphenyl)methylene]-4(5H)-thiazolone | ZLA95300 | M3303 | (Z)-2-amino-5-(4-hydroxybenzylidene)thiazol-4(5H)-one | 1198097-97-0 | A910477 | Mrn-atm pathway inhibitor,mirin | YXB09

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AC-32950 | AS-55824 | CCG-208657 | SCHEMBL21296287 | (5Z)-2-Amino-5-[(4-hydroxyphenyl)methylene]-4(5H)-thiazolone | ZLA95300 | M3303 | (Z)-2-amino-5-(4-hydroxybenzylidene)thiazol-4(5H)-one | 1198097-97-0 | A910477 | Mrn-atm pathway inhibitor, mirin | YXB09

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Mre11-Rad50-Nbs1 (MRN)-ATM pathway inhibitor that blocks the 3' and 5' exonuclease activity associated with Mre11. Prevents ATM activation in response to double strand breaks (IC50= 12μM) and induces G2cell cycle arrest. Also blocks homology-directed repa

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504773491
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773491
• Sonrisas canónicas: C1=CC(=CC=C1C=C2C(=O)NC(=N)S2)O
• IUPAC Name: (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
• InChIKey: YBHQCJILTOVLHD-YVMONPNESA-N
• INCHI: 1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-
• Isómeros SMILES: C1=CC(=CC=C1/C=C\2/C(=O)NC(=N)S2)O
• Peso molecular: 220.25
• Reaxy-Rn: 3609751
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3609751&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Thiazolines N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Meta-thiazoline - Isothiourea - N-acylimine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

Objetivos asociados (humanos)

U2OS (164939 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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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MRE11 Tbio Double-strand break repair protein MRE11A (8 Activities)

Discover Target: MRE11

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

RAW264.7 (28094 Activities)

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

Vero (26788 Activities)

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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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 22.02, Max Conc. mM: 100
• Sensibilidad: Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 298 °C
• Peso molecular: 220.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.031 Da
• Monoisotopic Mass: 220.031 Da
• Topological Polar Surface Area: 98.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 319.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1