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Fraxinellone - 10mM in DMSO, high purity , CAS No.28808-62-0

1 Citations COA COA
    Grade & Purity:
  • 10mM in DMSO
In stock
Item Number
F423006
Grouped product items
SKU Size
Availability
 Price Qty
F423006-1ml
1ml
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$89.90
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View related series
Compound libraries (12325) Glucose Metabolism (1943)

Basic Description

Synonyms Fraxinellone | 28808-62-0 | (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one | NSC638730 | (3R,3aR)-3-(Furan-3-yl)-3a,7-dimethyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one | Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl- | (3R,3a
Specifications & Purity 10mM in DMSO
Storage Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Isobenzofurans
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Isobenzofurans
Alternative Parents Gamma butyrolactones  Tetrahydrofurans  Heteroaromatic compounds  Furans  Enoate esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Isobenzofuran - Gamma butyrolactone - Furan - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety.
External Descriptors Not available

Associated Targets(Human)

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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DLD-1 (17511 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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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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RPMI-8226 (44974 Activities)
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RXF 631 (11415 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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SNB-78 (14240 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 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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XF498 (12972 Activities)
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786-0 (47912 Activities)
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A549 (127892 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-18 (11577 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HOP-92 (41141 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
IGROV-1 (47897 Activities)
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KM-20L2 (14967 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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LXFL 529 (14112 Activities)
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M19-MEL (15326 Activities)
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Malme-3M (44254 Activities)
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SNB-75 (44215 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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Associated Targets(non-human)

Tribolium castaneum (596 Activities)
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Mythimna separata (3306 Activities)
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Mechanisms of Action

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

Names and Identifiers

IUPAC Name (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
INCHI InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1
InChIKey XYYAFLHHHZVPRN-GXTWGEPZSA-N
Smiles CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3
Isomeric SMILES CC1=C2C(=O)O[C@H]([C@@]2(CCC1)C)C3=COC=C3
RTECS TI3767000
UN Number 2811
Packing Group III
Molecular Weight 232.28
Reaxy-Rn 209470
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=209470&ln=

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

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

Chemical and Physical Properties

Sensitivity Heat Sensitive
Specific Rotation[α] -39° (C=1,CHCl3)
Melt Point(°C) 116 °C
Molecular Weight 232.270 g/mol
XLogP3 2.500
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 232.11 Da
Monoisotopic Mass 232.11 Da
Topological Polar Surface Area 39.400 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 385.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Wang Jie, Bai Mei, Zhang Cui, An Ning, Wan Li, Wang Xiao-ning, Du Rong-hui, Shen Yan, Yuan Zhi-yao, Wu Xu-dong, Wu Xue-feng, Xu Qiang.  (2023)  Natural compound fraxinellone ameliorates intestinal fibrosis in mice via direct intervention of HSP47-collagen interaction in the epithelium.  ACTA PHARMACOLOGICA SINICA,    (1-10). 

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