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VX661

CAT: 1410-M10537-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M10537-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VX-661 is a second F508del CFTR corrector and is believed to help CFTR protein reach the cell surface. Phase 2.
CAS Number
1152311-62-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
520.5
Molecular Formula
C26H27F3N2O6
Notes
Research use only, not for human use.
Receptor
VFTR

Chemical Information

1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-(1-((2R)-2,3-dihydroxypropyl)-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl)cyclopropanecarboxamide

Tezacaftor is a CFTR (cystic fibrosis transmembrane conductance regulator) corrector used to treat cystic fibrosis in patients with susceptible mutations.

CAS Number1152311-62-0
PubChem CID46199646
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
Molecular FormulaC26H27F3N2O6
Molecular Weight520.5
XLogP2.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity858
SMILES
CC(C)(CO)C1=CC2=CC(=C(C=C2N1C[C@H](CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F
InChI
InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1
InChIKey
MJUVRTYWUMPBTR-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-N-(1-((2R)-2,3-dihydroxypropyl)-6-fluoro-2-(2-hydroxy-1,1-dimethylethyl)-1H-indol-5-yl)cyclopropanecarboxamide
CAS: 1152311-62-0
CID: 46199646
Formula: C26H27F3N2O6
MW: 520.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.5
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass520.18212107
Monoisotopic Mass520.18212107
Topological Polar Surface Area113 Ų
Heavy Atom Count37
Formal Charge0
Complexity858
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19163573-01VX661
JH72184Tezacaftor (VX661)
90036926Tezacaftor VX661

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