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I194496

CAT: 0013-GTR19239692-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239692-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
I194496 is a potent CSE inhibitor (IC50 = 0.79 mM) that impedes TNBC cell proliferation by targeting PI3K/Akt and Ras/Raf/ERK pathways and suppresses metastasis via Anxa2/STAT3 and VEGF/FAK/Paxillin signaling. It is a valuable research tool for studying cancer biology and therapeutic targets in vitro.
CAS Number
445238-07-3
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C (NC1=CC=C (C=C1) S (=O) (=O) NC=2C=CC=CC2OC) C=3C=NN4C3N=C (C=C4C (F) F) C=5C=CC (OC) =CC5
Molecular Formula
C28H23F2N5O5S
Molecular Weight
579.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(Difluoromethyl)-N-{4-[(2-methoxyanilino)sulfonyl]phenyl}-5-(4-methoxyphenyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CAS Number445238-07-3
PubChem CID995957
IUPAC Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC28H23F2N5O5S
Molecular Weight579.6
XLogP3.9
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity971
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=C5OC
InChI
InChI=1S/C28H23F2N5O5S/c1-39-19-11-7-17(8-12-19)23-15-24(26(29)30)35-27(33-23)21(16-31-35)28(36)32-18-9-13-20(14-10-18)41(37,38)34-22-5-3-4-6-25(22)40-2/h3-16,26,34H,1-2H3,(H,32,36)
InChIKey
RZDKMOMSJIGUHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(Difluoromethyl)-N-{4-[(2-methoxyanilino)sulfonyl]phenyl}-5-(4-methoxyphenyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CAS: 445238-07-3
CID: 995957
Formula: C28H23F2N5O5S
MW: 579.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass579.13879635
Monoisotopic Mass579.13879635
Topological Polar Surface Area132 Ų
Heavy Atom Count41
Formal Charge0
Complexity971
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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T201096-01I194496
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