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Bamocaftor

CAT: 1410-M34520-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M34520-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bamocaftor is a CFTR channel (DeltaF508-CFTR mutation) corrector for CF transmembrane conductance regulators designed to restore F508del-CFTR protein function. Combined use of tezacaftor and VX-561 for the treatment of cystic fibrosis patients with F508del/MF.
CAS Number
2204245-48-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
591.65
Molecular Formula
C28H32F3N5O4S
Notes
Research use only, not for human use.
Receptor
CFTR

Chemical Information

Bamocaftor

Bamocaftor (VX-659) is under investigation in clinical trial NCT03224351 (A Study Evaluating the Safety and Efficacy of VX-659 Combination Therapy in Subjects With Cystic Fibrosis).

CAS Number2204245-48-5
PubChem CID134393443
IUPAC NameN-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
Molecular FormulaC28H32F3N5O4S
Molecular Weight591.6
XLogP5.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity1040
SMILES
C[C@H]1CC(N(C1)C2=C(C=CC(=N2)N3C=CC(=N3)OCCC4(CC4)C(F)(F)F)C(=O)NS(=O)(=O)C5=CC=CC=C5)(C)C
InChI
InChI=1S/C28H32F3N5O4S/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37)/t19-/m0/s1
InChIKey
IGEOJNMYRZUKIK-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Bamocaftor
CAS: 2204245-48-5
CID: 134393443
Formula: C28H32F3N5O4S
MW: 591.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.6
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass591.21271018
Monoisotopic Mass591.21271018
Topological Polar Surface Area115 Ų
Heavy Atom Count41
Formal Charge0
Complexity1040
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
GTR19195460-01Bamocaftor
HY-126394BBamocaftor (potassium)

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