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Hydroxy celecoxib

CAT: 0804-HY-145526-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145526-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hydroxy celecoxib is a Celecoxib derivative and a PI3K/Akt signalling activator which promotes epithelium repair. Hydroxy celecoxib can be utilized in asthma research[1].
CAS Number
170571-00-3
UNSPSC
12352005
Hazard Statement
H410
Target
Akt; PI3K
Related Pathways
PI3K/Akt/mTOR
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Purity
98.71
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(N)(C1=CC=C(N2N=C(C(F)(F)F)C=C2C3=CC=C(CO)C=C3)C=C1)=O
Molecular Formula
C17H14F3N3O3S
Molecular Weight
397.37
Precautions
H410
References & Citations
[1]Thomas I, et al. Promotion of epithelial repair via the administration of activators of pi3k/akt signalling. WO2019222801A1. 2019-11-28
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4'-Hydroxycelecoxib

Hydroxycelecoxib is a member of pyrazoles and a ring assembly.

CAS Number170571-00-3
PubChem CID9908776
IUPAC Name4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.4
XLogP2.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity595
SMILES
C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)
InChIKey
ICRSYPPLGADZKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxycelecoxib
CAS: 170571-00-3
CID: 9908776
Formula: C17H14F3N3O3S
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass397.07079698
Monoisotopic Mass397.07079698
Topological Polar Surface Area107 Ų
Heavy Atom Count27
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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HY-118139-01Desmethyl Celecoxib
HY-14398GCelecoxib (GMP)
HY-14398S-01Celecoxib-d7
HY-134234-01Celecoxib carboxylic acid
HY-14398GLCelecoxib (GMP Like)
HY-134234RCelecoxib carboxylic acid (Standard)

Alternative Products

CatalogName
T84997-01Hydroxy Celecoxib
BBC52456-01Hydroxy celecoxib-d4
sc-499718N-De (4-sulfonamidophenyl) -N′- (4-sulfonamidophenyl) -4,5-dihydro-5-hydroxy celecoxib
458657N-De (4-sulfonamidophenyl) -Nʼ- (4-sulfonamidophenyl) -4,5-dihydro-5-hydroxy Celecoxib
TRC-D297885-25MGN-De(4-sulfonamidophenyl)-Nʼ-(4-sulfonamidophenyl)-4,5-dihydro-5-hydroxy Celecoxib
T0466-01Celecoxib

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