Mirin - 10mM in DMSO , CAS No.1198097-97-0

CAS: 1198097-97-0 Cat. No.: M420877 Fórmula: C₁₀H₈N₂O₂S Peso molecular: 220.25 Número EC: 878-772-0

CALIDAD & PUREZA 10mM in DMSO

Synonyms

1198097-97-0|(Z)-2-amino-5-(4-hydroxybenzylidene)thiazol-4(5H)-one|CHEMBL570841|Mrn-atm pathway inhibitor,mirin|SCHEMBL21296287|YXB09797|ZLA95300|MFCD05885480|CCG-208657|AC-32950|AS-55824|M3303|A910477|(5Z)-2-Amino-5-[(4-hydroxyphenyl)methylene]-4(5H)-thi

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificaciones

Sinónimos

1198097-97-0 | (Z)-2-amino-5-(4-hydroxybenzylidene)thiazol-4(5H)-one | CHEMBL570841 | Mrn-atm pathway inhibitor,mirin | SCHEMBL21296287 | YXB09797 | ZLA95300 | MFCD05885480 | CCG-208657 | AC-32950 | AS-55824 | M3303 | A910477 | (5Z)-2-Amino-5-[(4-hydroxyphenyl)methylene]-4(5H)-thi

Especificaciones y pureza

10mM in DMSO

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 -80°C

Enviado en

Dry ice packs + Cold packs

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Tipo de acción

INHIBITOR

Nombres e identificadores

Pubchem Sid

528765634

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

• 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