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Oroxin B - 10mM in DMSO, high purity , CAS No.114482-86-9

COA

Grade & Purity:

10mM in DMSO

Cas Number: 114482-86-9
Molecular Weight: 594.52
PubChem CID: 10077207

In stock

Item Number

O420712

Grouped product items
SKU	Size	Availability	Price	Qty
O420712-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$179.90

COX-2 Selective Inhibitors

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Basic Description

Synonyms	Oroxin B \| 114482-86-9 \| Baicalin-7-diglucoside \| 5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one \| baicalein-7-o-diglucoside \| Baicalein-7-O-gentiobio
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Oroxin B (Hypocretin-2), one of flavonoids isolated from traditional Chinese herbal medicine Oroxylum indicum (L.) Vent, selectively induces tumor-suppressive ER stress in malignant lymphoma cells and has antioxidant activity. Oroxin B significantly inhib
Storage Temp	Protected from light,Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Oroxin B (Hypocretin-2), one of flavonoids isolated from traditional Chinese herbal medicine Oroxylum indicum (L.) Vent, selectively induces tumor-suppressive ER stress in malignant lymphoma cells and has antioxidant activity. Oroxin B significantly inhibits proliferation and induceapoptosis, which may be strongly associated with the inhibiting COX-2/VEGF and PTEN/PI3K/AKT signaling pathway in SMMC-7721 cells, Oroxin B potentially be used as a novel therapeutic agent for liver cancer. Targets PTEN ; COX-2 ; PI3K ; Akt

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass Flavonoid glycosides
      - Level5 Flavonoid O-glycosides
        Level6 Flavonoid-7-O-glycosides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	Flavonoid glycosides
Intermediate Tree Nodes	Flavonoid O-glycosides
Direct Parent	Flavonoid-7-O-glycosides
Alternative Parents	5-hydroxyflavonoids 6-hydroxyflavonoids Flavones Phenolic glycosides Chromones Disaccharides O-glycosyl compounds Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavonoid-7-o-glycoside - Hydroxyflavonoid - 5-hydroxyflavonoid - 6-hydroxyflavonoid - Flavone - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Chromone - 1-benzopyran - Benzopyran - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Monocyclic benzene moiety - Benzenoid - Oxane - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
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

Product Properties

ALogP	-1.267
hba_count	6
HBD Count	9
Rotatable Bond	7

Names and Identifiers

IUPAC Name	5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
INCHI	InChI=1S/C27H30O15/c28-8-15-19(31)22(34)24(36)26(41-15)38-9-16-20(32)23(35)25(37)27(42-16)40-14-7-13-17(21(33)18(14)30)11(29)6-12(39-13)10-4-2-1-3-5-10/h1-7,15-16,19-20,22-28,30-37H,8-9H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey	HAYLVXFWJCKKDW-IJTBWITGSA-N
Smiles	C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O
Isomeric SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
Molecular Weight	594.52
Reaxy-Rn	60206645
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60206645&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light sensitive
DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	168.203457556633
Molecular Weight	594.500 g/mol
XLogP3	-1.300
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Exact Mass	594.158 Da
Monoisotopic Mass	594.158 Da
Topological Polar Surface Area	245.000 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	958.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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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