Bamocaftor | CAS# 2204245-48-5 | CFTR | DeltaF508-CFTR Mutant | Cystic Fibrosis

MedKoo Cat#: 573887 | Name: Bamocaftor

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Bamocaftor, also known as VX 659, is a CFTR channel (DeltaF508-CFTR Mutant) corrector in patients with Cystic Fibrosis who are homozygous for the F508del mutation of the CF transmembrane conductance regulator (CFTR) gene, or who are heterozygous for the F508del mutation and a minimal function (MF) CFTR mutation not likely to respond to tezacaftor, ivacaftor, or tezacaftor/ivacaftor and also in combination with tezacaftor and VX-561 in F508del/MF in patients with cystic fibrosis.

Chemical Structure

Bamocaftor

CAS#2204245-48-5 (free base)

Theoretical Analysis

MedKoo Cat#: 573887

Name: Bamocaftor

CAS#: 2204245-48-5 (free base)

Chemical Formula: C28H32F3N5O4S

Exact Mass: 591.2127

Molecular Weight: 591.65

Elemental Analysis: C, 56.84; H, 5.45; F, 9.63; N, 11.84; O, 10.82; S, 5.42

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

2204245-47-4 (potassium) 2204245-48-5 (free base)

Synonym

Bamocaftor; VX 659; VX-659; VX659;

IUPAC/Chemical Name

(S)-N-(phenylsulfonyl)-6-(3-(2-(1-(trifluoromethyl)cyclopropyl)ethoxy)-1H-pyrazol-1-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)nicotinamide

InChi Key

IGEOJNMYRZUKIK-IBGZPJMESA-N

InChi Code

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

SMILES Code

CC1(C)C[C@]([H])(C)CN1C2=NC(N(C=C3)N=C3OCCC4(C(F)(F)F)CC4)=CC=C2C(NS(C5=CC=CC=C5)(=O)=O)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 591.65 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Clancy JP, Cotton CU, Donaldson SH, Solomon GM, VanDevanter DR, Boyle MP, Gentzsch M, Nick JA, Illek B, Wallenburg JC, Sorscher EJ, Amaral MD, Beekman JM, Naren AP, Bridges RJ, Thomas PJ, Cutting G, Rowe S, Durmowicz AG, Mense M, Boeck KD, Skach W, Penland C, Joseloff E, Bihler H, Mahoney J, Borowitz D, Tuggle KL. CFTR modulator theratyping: Current status, gaps and future directions. J Cyst Fibros. 2019 Jan;18(1):22-34. doi: 10.1016/j.jcf.2018.05.004. Epub 2018 Jun 20. Review. PubMed PMID: 29934203; PubMed Central PMCID: PMC6301143. 2: Grasemann H. CFTR Modulator Therapy for Cystic Fibrosis. N Engl J Med. 2017 Nov 23;377(21):2085-2088. doi: 10.1056/NEJMe1712335. Epub 2017 Nov 3. PubMed PMID: 29099349. 3: Guimbellot J, Sharma J, Rowe SM. Toward inclusive therapy with CFTR modulators: Progress and challenges. Pediatr Pulmonol. 2017 Nov;52(S48):S4-S14. doi: 10.1002/ppul.23773. Epub 2017 Sep 7. Review. PubMed PMID: 28881097; PubMed Central PMCID: PMC6208153.