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CHF-6333

CAT: 0013-GTR19242269-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242269-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CHF-6333 is a potent and selective small molecule inhibitor of human neutrophil elastase (HNE) . It is a valuable research tool for studying HNE's role in inflammatory diseases such as COPD and cystic fibrosis, applicable in both in vitro enzymatic assays and in vivo preclinical models.
CAS Number
1613621-54-7
Smiles
S (C) (=O) (=O) [O-].C (OC) (=O) C=1[C@H] (N2C (N (C1C) C3=CC (C (F) (F) F) =CC=C3) =NNC2=O) C4=C (CC[N+] (C) (C) C) C=C (C#N) C=C4
Molecular Formula
C28H31F3N6O6S
Molecular Weight
636.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chf-6333
CAS Number1613621-54-7
PubChem CID76285205
IUPAC Name2-[5-cyano-2-[(5R)-6-methoxycarbonyl-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]phenyl]ethyl-trimethylazanium;methanesulfonate
Molecular FormulaC28H31F3N6O6S
Molecular Weight636.6
Topological Polar Surface Area164
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1170
SMILES
CC1=C([C@H](N2C(=O)NN=C2N1C3=CC=CC(=C3)C(F)(F)F)C4=C(C=C(C=C4)C#N)CC[N+](C)(C)C)C(=O)OC.CS(=O)(=O)[O-]
InChI
InChI=1S/C27H27F3N6O3.CH4O3S/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30;1-5(2,3)4/h6-10,13-14,23H,11-12H2,1-5H3;1H3,(H,2,3,4)/t23-;/m1./s1
InChIKey
PTLGCXRUDBXISG-GNAFDRTKSA-N
Chemical Structure
2D Structure
2D structure of Chf-6333
CAS: 1613621-54-7
CID: 76285205
Formula: C28H31F3N6O6S
MW: 636.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass636.19778839
Monoisotopic Mass636.19778839
Topological Polar Surface Area164 Ų
Heavy Atom Count44
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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