Tropolone - Moligand™,≥98% , CAS No.533-75-5

CAS: 533-75-5 Cat. No.: T112998 Fórmula: C₇H₆O₂ Peso molecular: 122.12 Beilstein Registry Number: 1904978 Número CE: 208-577-2 PubChem CID: 10789

GRAU & PUREZA Moligand™, ≥98%

Synonyms

2-Hydroxy-2,4,6-cycloheptatrienone|2-hydroxy-2,4,6-cycloheptatrien -1-one|2,4,6-Cycloheptatrien-1-one, 2-hydroxy-|(2E,4Z,6Z)-2-hydroxycyclohepta-2,4,6-trienone|Tropolone|2-Hydroxy-2,4,6-cycloheptatriene-1-one|2-Hydroxy-2,4,6-cycloheptatrien-1-one|Purpurocatechol|TROPOLONE [WHO-DD]|TROPOLONE [INCI]|.ALPHA.-TROPOLONE|2,6-Cycloheptatrien-1-one, 2-hydroxy-|2-Hydroxy-cyclohepta-2,4,6-trienone|2-Hydroxycyclohepta-2,4,6-trienone|2-hydroxycyclohepta-2,4,6-trien-1-one|TROPOLONE [MI]

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

2-Hydroxy-2,4,6-cycloheptatrienone | 2-hydroxy-2,4,6-cycloheptatrien -1-one | 2,4,6-Cycloheptatrien-1-one, 2-hydroxy- | (2E,4Z,6Z)-2-hydroxycyclohepta-2,4,6-trienone | Tropolone | 2-Hydroxy-2,4,6-cycloheptatriene-1-one | 2-Hydroxy-2,4,6-cycloheptatrien-1-one | Purpurocatechol | TROPOLONE [WHO-DD] | TROPOLONE [INCI] | .ALPHA.-TROPOLONE | 2 Show more

Especificações e pureza

Moligand™,≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508814738

Sorrisos canónicos

C1=CC=C(C(=O)C=C1)O

IUPAC Name

2-hydroxycyclohepta-2,4,6-trien-1-one

InChIKey

MDYOLVRUBBJPFM-UHFFFAOYSA-N

INCHI

1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)

SMILES isoméricas

C1=CC=C(C(=O)C=C1)O

WGK Alemanha

3

RTECS

GU4075000

PubChem CID

10789

Peso molecular

122.12

Beilstein

1904978

Reaxy-Rn

1904978

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives
    • Classe Tropones
      • Subclass Tropolones

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Classe: Tropones
• Subclass: Tropolones
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropolones
• Alternative Parents: Cyclic ketones Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tropolone - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2.
• External Descriptors: cyclic ketone

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

Alvos associados (humanos)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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CPA1 Tchem Carboxypeptidase A1 (146 Activities)

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

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DBH Tchem Dopamine beta-hydroxylase (131 Activities)

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MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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Alvos associados (não humanos)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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npr Thermolysin (425 Activities)

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Thanatephorus cucumeris (609 Activities)

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Fusarium solani (1274 Activities)

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Plasmodium falciparum (966862 Activities)

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Botrytis cinerea (4183 Activities)

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HT-22 (3261 Activities)

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lef Anthrax lethal factor (7585 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Colletotrichum lagenaria (239 Activities)

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Coptotermes formosanus (677 Activities)

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Pythium aphanidermatum (174 Activities)

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prtC Collagenase (8 Activities)

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Colletotrichum orbiculare (93 Activities)

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Dermatophagoides farinae (123 Activities)

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Tyrophagus putrescentiae (89 Activities)

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Phomopsis obscurans (86 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Sensibilidade: heat sensitive&Moisture sensitive.
• Ponto de inflamação (°F): 233.6 °F
• Ponto de inflamação (°C): 112 °C
• Ponto de ebulição (°C): 80-84°C
• Ponto de fusão (°C): 50-52°C
• Peso molecular: 122.120 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 122.037 Da
• Monoisotopic Mass: 122.037 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 209.000
• 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