INE963
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MedKoo CAT#: 465900

CAS#: 2640567-43-5 (free base)

Description: INE963 is a Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cures in Uncomplicated Malaria. INE963 demonstrates potent cellular activity against Pf 3D7 (EC50 = 0.006 μM) and achieves “artemisinin-like” kill kinetics in vitro with a parasite clearance time of <24 h.

Chemical Structure

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INE963
CAS# 2640567-43-5 (free base)
Instruction

Theoretical Analysis

MedKoo Cat#: 465900
Name: INE963
CAS#: 2640567-43-5 (free base)
Chemical Formula: C19H26N6O2S
Exact Mass: 402.18
Molecular Weight: 402.517
Elemental Analysis: C, 56.70; H, 6.51; N, 20.88; O, 7.95; S, 7.96

Price and Availability

Size Price Availability Quantity
25mg USD 650 2 Weeks
50mg USD 950 2 Weeks
100mg USD 1450 2 Weeks
200mg USD 2450 2 Weeks
500mg USD 4250 2 Weeks
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Related CAS #: 2640567-43-5 (free base)   INE963 HCl    

Synonym: INE963; INE 963; INE-963;

IUPAC/Chemical Name: 4-(aminomethyl)-1-(5-(6-isopropyl-2-methoxypyridin-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-ol

InChi Key: JYHSRMKXBAPFST-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H26N6O2S/c1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24/h4-5,10,12,26H,6-9,11,20H2,1-3H3

SMILES Code: OC1(CN)CCN(C2=NN3C(S2)=NC=C3C4=C(OC)N=C(C(C)C)C=C4)CC1

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 402.52 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Taft BR, Yokokawa F, Kirrane T, Mata AC, Huang R, Blaquiere N, Waldron G, Zou B, Simon O, Vankadara S, Chan WL, Ding M, Sim S, Straimer J, Guiguemde A, Lakshminarayana SB, Jain JP, Bodenreider C, Thompson C, Lanshoeft C, Shu W, Fang E, Qumber J, Chan K, Pei L, Chen YL, Schulz H, Lim J, Abas SN, Ang X, Liu Y, Angulo-Barturen I, Jiménez-Díaz MB, Gamo FJ, Crespo-Fernandez B, Rosenthal PJ, Cooper RA, Tumwebaze P, Aguiar ACC, Campo B, Campbell S, Wagner J, Diagana TT, Sarko C. Discovery and Preclinical Pharmacology of INE963, a Potent and Fast- Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cures in Uncomplicated Malaria. J Med Chem. 2022 Mar 1. doi: 10.1021/acs.jmedchem.1c01995. Epub ahead of print. PMID: 35229610.