MedKoo Cat#: 533333 | Name: AZD9898 HCl

Description:

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

AZD9898 is a picomolar LTC4S inhibitor (IC50 = 0.28 nM) with high lipophilic ligand efficiency (LLE = 8.5), which displays nanomolar potency in cells (peripheral blood mononuclear cell, IC50,free = 6.2 nM) and good in vivo pharmacodynamics in a calcium ionophore-stimulated rat model after oral dosing (in vivo, IC50,free = 34 nM). AZD9898 is a potential drug candidate for treatment of asthma.

Chemical Structure

AZD9898 HCl
AZD9898 HCl
CAS#AZD9898 HCl

Theoretical Analysis

MedKoo Cat#: 533333

Name: AZD9898 HCl

CAS#: AZD9898 HCl

Chemical Formula: C20H20Cl2F3N3O4

Exact Mass: 457.1016

Molecular Weight: 494.29

Elemental Analysis: C, 48.60; H, 4.08; Cl, 14.34; F, 11.53; N, 8.50; O, 12.95

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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Synonym
AZD9898; AZD-9898; AZD 9898; AZD9898 sodium;
IUPAC/Chemical Name
(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid hydrochloride
InChi Key
COFWRSOAAGVFCR-IYPAPVHQSA-N
InChi Code
InChI=1S/C20H19ClF3N3O4.ClH/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30;/h5-7,9-10H,4,8H2,1-3H3,(H,29,30);1H/t9-,10-;/m0./s1
SMILES Code
O=C([C@@H]1[C@@H](C(C2=NC=C(N(C3=CC(Cl)=C(F)C=C3F)CC(C)(F)C)N=C2OC)=O)C1)O.[H]Cl
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 494.29 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