MedKoo Cat#: 535173 | Name: Redx03863

Description:

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

Redx03863 is a novel potent inhibitor of the supercoiling and ATPase reactions of DNA gyrase, inhibiting gyrase by preventing the binding of ATP.

Chemical Structure

Redx03863
Redx03863
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 535173

Name: Redx03863

CAS#: N/A

Chemical Formula: C21H21FN8O

Exact Mass: 420.1822

Molecular Weight: 420.45

Elemental Analysis: C, 59.99; H, 5.03; F, 4.52; N, 26.65; O, 3.81

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 #
No Data
Synonym
Redx03863; Redx-03863; Redx 03863
IUPAC/Chemical Name
4-((1R,5S,6s)-6-Amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-((2-methylpyrimidin-5-yl)oxy)-9H-pyrimido[4,5-b]indol-8-amine
InChi Key
GOOKXTQTAFDVNH-HALDLXJZSA-N
InChi Code
InChI=1S/C21H21FN8O/c1-9-25-5-11(6-26-9)31-21-28-19-16(12-3-10(22)4-15(24-2)18(12)27-19)20(29-21)30-7-13-14(8-30)17(13)23/h3-6,13-14,17,24H,7-8,23H2,1-2H3,(H,27,28,29)/t13-,14+,17+
SMILES Code
CC1=NC=C(OC2=NC(N3C[C@]4([H])[C@@H](N)[C@]4([H])C3)=C5C(NC6=C5C=C(F)C=C6NC)=N2)C=N1
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

Preparing Stock Solutions

The following data is based on the product molecular weight 420.45 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.

Recalculate based on batch purity %
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: Henderson SR, Stevenson CEM, Malone B, Zholnerovych Y, Mitchenall LA, Pichowicz M, McGarry DH, Cooper IR, Charrier C, Salisbury AM, Lawson DM, Maxwell A. Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J Antimicrob Chemother. 2020 Jul 30:dkaa286. doi: 10.1093/jac/dkaa286. Epub ahead of print. PMID: 32728686.