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OGT 2115 - ≥97%(HPLC), high purity , CAS No.853929-59-6

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OGT 2115 - ≥97%(HPLC), high purity , CAS No.853929-59-6

COA

Grade & Purity:

≥97%(HPLC)

Cas Number: 853929-59-6
Molecular Weight: 495.3
PubChem CID: 44402523
PubChem SID: 488200988

In stock

Item Number

O288697

Grouped product items
SKU	Size	Availability	Price
O288697-1mg	1mg	5	$20.90
O288697-5mg	5mg	3	$86.90
O288697-10mg	10mg	2	$151.90
O288697-25mg	25mg	1	$325.90
O288697-50mg	50mg	1	$543.90
O288697-100mg	100mg	1	$870.90

Antiangiogenic. Heparanase inhibitor

View related series

Glucose Metabolism (1943)

Basic Description

Synonyms	2-[4-[[3-(4-Bromophenyl)-1-oxo-2-propenyl]amino]-3-fluorophenyl]-5-benzoxazoleacetic acid
Specifications & Purity	≥97%(HPLC)
Biochemical and Physiological Mechanisms	Heparanase inhibitor (IC50= 0.4μM) that displays no major inhibition of human cytochrome P450 isoenzymes (IC50> 30 μM). Exhibits antiangiogenic propertiesin vitro(IC50= 1μM).
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Cinnamic acid amides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acid amides
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acid amides
Alternative Parents	Phenyl-1,3-oxazoles Anilides Benzoxazoles Styrenes N-arylamides Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Cinnamic acid amide - Phenyl-1,3-oxazole - Anilide - Benzoxazole - Styrene - N-arylamide - Bromobenzene - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Aryl bromide - Oxazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organofluoride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
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)

HPSE Tchem Heparanase (2 Activities)

Discover Target: HPSE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HPSE Tchem Heparanase (634 Activities)

Discover Target: HPSE

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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	488200988
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200988
IUPAC Name	2-[2-[4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-fluorophenyl]-1,3-benzoxazol-5-yl]acetic acid
INCHI	InChI=1S/C24H16BrFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+
InChIKey	LKBXWNYXDMSFQU-ONNFQVAWSA-N
Smiles	C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)CC(=O)O)F)Br
Isomeric SMILES	C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)CC(=O)O)F)Br
Molecular Weight	495.3
Reaxy-Rn	33255773
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33255773&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.

12 results found

Lot Number	Certificate Type	Date	Item
F23051133	Certificate of Analysis	Apr 17, 2023	O288697
F23051084	Certificate of Analysis	Apr 17, 2023	O288697
F23051126	Certificate of Analysis	Apr 17, 2023	O288697
F23051137	Certificate of Analysis	Apr 17, 2023	O288697
F23051134	Certificate of Analysis	Apr 17, 2023	O288697
F23051125	Certificate of Analysis	Apr 17, 2023	O288697
F23051135	Certificate of Analysis	Apr 17, 2023	O288697
F23051132	Certificate of Analysis	Apr 17, 2023	O288697
F23051136	Certificate of Analysis	Apr 17, 2023	O288697
F23051119	Certificate of Analysis	Apr 17, 2023	O288697
F23051076	Certificate of Analysis	Apr 17, 2023	O288697
F23051121	Certificate of Analysis	Apr 17, 2023	O288697

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Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 4.95, Max Conc. mM: 10
Molecular Weight	495.300 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	494.028 Da
Monoisotopic Mass	494.028 Da
Topological Polar Surface Area	92.400 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	699.000
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

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