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Bamocaftor

CAT: 0013-GTR19195460-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195460-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bamocaftor is a small molecule corrector targeting the F508del-CFTR mutation in cystic fibrosis, designed to restore protein function. It is used in research, often in combination with agents like tezacaftor, for in vitro and in vivo studies investigating CFTR channel rescue and therapeutic strategies.
CAS Number
2204245-48-5
Product Name Alternative
VX659, VX-659, VX 659, F508del-CFTR, Bamocaftor
Field of Research
Pharmacology & Drug Discovery
Purity
99.71% (May vary between batches)
Solubility
DMSO:18.33 mg/mL (30.98 mM)
Smiles
C[C@@H]1CN (c2nc (ccc2C (=O) NS (=O) (=O) c2ccccc2) -n2ccc (OCCC3 (CC3) C (F) (F) F) n2) C (C) (C) C1
Molecular Formula
C28H32F3N5O4S
Molecular Weight
591.65
Storage Conditions
-20°C
Notes
For research use only.

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
BA6619-5.1Bamocaftor
HY-126394BBamocaftor (potassium)

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