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6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid - 97%, high purity , CAS No.55453-87-7

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6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid - 97%, high purity , CAS No.55453-87-7

COA

Grade & Purity:

≥97%

Cas Number: 55453-87-7
Molecular Weight: 268.27
MDL number: MFCD00242952
PubChem CID: 41448
PubChem SID: 488183328

In stock

Item Number

D123156

Grouped product items
SKU	Size	Availability	Price
D123156-1g	1g	3	$46.90
D123156-5g	5g	3	$161.90
D123156-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
D123156-25g	25g	2	$654.90
D123156-100g	100g	3	$2,354.90
D123156-500g	500g	1	$10,596.90

View related series

Pharmaceutical ingredients (367) Seven membered ring compound (48)

Basic Description

Synonyms	6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl acetic acid \| NSC 300907 \| Artil (TN) \| CCG-267128 \| SY051246 \| 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid \| 6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid \| BRN 1320243 \| Dibenz[b, 6,11-dihydro-11-o
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	have Antiinflammatory Activity

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxepines
    - Subclass Dibenzoxepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxepines
Subclass	Dibenzoxepines
Intermediate Tree Nodes	Not available
Direct Parent	Dibenzoxepines
Alternative Parents	Aryl ketones Alkyl aryl ethers Benzenoids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dibenzoxepine - Aryl ketone - Alkyl aryl ether - Benzenoid - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
External Descriptors	Not available
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

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488183328
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183328
IUPAC Name	2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
INCHI	InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)
InChIKey	QFGMXJOBTNZHEL-UHFFFAOYSA-N
Smiles	C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O
Isomeric SMILES	C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O
RTECS	HQ4110000
Molecular Weight	268.27
Reaxy-Rn	1320243
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1320243&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
H1810193	Certificate of Analysis	Jun 17, 2022	D123156
D2303357	Certificate of Analysis	Jun 17, 2022	D123156
H1810191	Certificate of Analysis	Jun 17, 2022	D123156
G1416063	Certificate of Analysis	Apr 27, 2022	D123156
D2303358	Certificate of Analysis	Nov 03, 2021	D123156
J2129577	Certificate of Analysis	Nov 03, 2021	D123156
L2404222	Certificate of Analysis	Jul 30, 2021	D123156
D2303359	Certificate of Analysis	Jul 30, 2021	D123156

Chemical and Physical Properties

Solubility	Soluble in methanol
Melt Point(°C)	140.0-142.0°C
Molecular Weight	268.260 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	268.074 Da
Monoisotopic Mass	268.074 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	392.000
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

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