BMS 191011 - ≥98% , CAS No.202821-81-6

CAS: 202821-81-6 Cat. No.: B288268 Formule: C₁₆H₁₀ClF₃N₂O₃ Poids moléculaire: 370.71 Numéro CE: 806-268-2

GRADE & PURITY ≥98%

Synonyms

EX-A4811 | 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one | HMS3677P11 | AC-36591 | Bms-a | BRD-K95609758-001-01-1 | BMS 191011 | HMS3413P11 | LW7MXS978N | DTXSID70174141 | HMS3269L09 | CHEBI:93672 | BMS-191011 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

BMS-191011 (BMS-A) is an opener of the large-conductance, Ca2+-activated potassium (maxi-K) channel, effective in stroke models.

Specifications

Synonymes

EX-A4811 | 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one | HMS3677P11 | AC-36591 | Bms-a | BRD-K95609758-001-01-1 | BMS 191011 | HMS3413P11 | LW7MXS978N | DTXSID70174141 | HMS3269L09 | CHEBI:93672 | BMS-191011 |

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

The compound BMS-191011 has neuroprotective properties in rodent models of stroke, and induces dialation of rat retinal arterioles.

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.

Type d'action

ACTIVATOR

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504765491
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765491
• Sourires canoniques: C1=CC(=CC=C1C2=NN(C(=O)O2)CC3=C(C=CC(=C3)Cl)O)C(F)(F)F
• IUPAC Name: 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
• InChIKey: QKOWACXSXTXRKA-UHFFFAOYSA-N
• INCHI: 1S/C16H10ClF3N2O3/c17-12-5-6-13(23)10(7-12)8-22-15(24)25-14(21-22)9-1-3-11(4-2-9)16(18,19)20/h1-7,23H,8H2
• Isomères SMILES: C1=CC(=CC=C1C2=NN(C(=O)O2)CC3=C(C=CC(=C3)Cl)O)C(F)(F)F
• Poids moléculaire: 370.71
• Reaxy-Rn: 9427171
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9427171&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: P-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides 1,3,4-oxadiazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - 4-halophenol - 4-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Azacycle - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl 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

Cibles associées (humaines)

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (435 Activities)

Discover Target: KCNMA1

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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Hdac6 Histone deacetylase 6 (222 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, the highest concentration (mg/mL): 125, the highest concentration (mM): 337.19(Need ultrasonic)
• Sensibilité: light&heat sensitive
• Poids moléculaire: 370.710 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 370.033 Da
• Monoisotopic Mass: 370.033 Da
• Topological Polar Surface Area: 62.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 535.000
• 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