Products for Research Use Only
RegisterLogin

ARN23765

CAT: 0931-T205032-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T205032-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2244458-40-8
Target
CFTR
Related Pathways
Membrane transporter/Ion channel
Bioactivity
ARN23765 is an F508del-CFTR corrector with an EC50 of 38 pM in human bronchial epithelial cells. It enhances the maturation and function of F508del-CFTR at the cell membrane, influencing ion transport and secretion, thereby addressing the pathological mechanisms of cystic fibrosis (CF) .
Smiles
O([C@@H]1C=2N(N=C(C(F)(F)F)C2CCC1)C3=CC(C(N(C)C=4C=C5C(=CC4)OC(F)(F)O5)=O)=CC=C3)C6=CC=C(C(O)=O)C=C6
Molecular Formula
C30H22F5N3O6
Molecular Weight
615.504
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 142428878
CAS Number2244458-40-8
PubChem CID142428878
IUPAC Name4-[[(7S)-1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoic acid
Molecular FormulaC30H22F5N3O6
Molecular Weight615.5
XLogP6.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
CN(C1=CC2=C(C=C1)OC(O2)(F)F)C(=O)C3=CC(=CC=C3)N4C5=C(CCC[C@@H]5OC6=CC=C(C=C6)C(=O)O)C(=N4)C(F)(F)F
InChI
InChI=1S/C30H22F5N3O6/c1-37(18-10-13-22-24(15-18)44-30(34,35)43-22)27(39)17-4-2-5-19(14-17)38-25-21(26(36-38)29(31,32)33)6-3-7-23(25)42-20-11-8-16(9-12-20)28(40)41/h2,4-5,8-15,23H,3,6-7H2,1H3,(H,40,41)/t23-/m0/s1
InChIKey
LGCLACSGYALGRU-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of CID 142428878
CAS: 2244458-40-8
CID: 142428878
Formula: C30H22F5N3O6
MW: 615.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight615.5
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass615.14287624
Monoisotopic Mass615.14287624
Topological Polar Surface Area103 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
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

Related Products

CatalogName
T69606-01ARN23746

Alternative Products

CatalogName
GTR19249629-01ARN23765

Popular Products