MedKoo Cat#: 414408 | Name: NITD-688
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Description:

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

NITD-688 is a pan-serotype dengue virus inhibitor. NITD-688 showed strong potency against all four serotypes of DENV and demonstrated excellent oral efficacy in infected AG129 mice. There was a 1.44-log reduction in viremia when mice were treated orally at 30 milligrams per kilogram twice daily for 3 days starting at the time of infection. NITD-688 treatment also resulted in a 1.16-log reduction in viremia when mice were treated 48 hours after infection. Selection of resistance mutations and binding studies with recombinant proteins indicated that the nonstructural protein 4B is the target of NITD-688. Pharmacokinetic studies in rats and dogs showed a long elimination half-life and good oral bioavailability. Extensive in vitro safety profiling along with exploratory rat and dog toxicology studies showed that NITD-688 was well tolerated after 7-day repeat dosing, demonstrating that NITD-688 may be a promising preclinical candidate for the treatment of dengue.

Chemical Structure

NITD-688
CAS#2407227-31-8

Theoretical Analysis

MedKoo Cat#: 414408

Name: NITD-688

CAS#: 2407227-31-8

Chemical Formula: C25H32N4O3S2

Exact Mass: 500.1916

Molecular Weight: 500.68

Elemental Analysis: C, 59.97; H, 6.44; N, 11.19; O, 9.59; S, 12.81

Price and Availability

Size Price Availability Quantity
1mg USD 750.00 2 Weeks
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Related CAS #
No Data
Synonym
NITD-688; NITD688; NITD 688
IUPAC/Chemical Name
Benzeneacetamide, 4-(aminosulfonyl)-N-(3-cyano-5-(cyclohexylmethyl)-4,5,6,7-tetrahydro-6,6-dimethylthieno(3,2-C)pyridin-2-yl)-
InChi Key
CIWCVIPQAHRJNY-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H32N4O3S2/c1-25(2)13-22-21(16-29(25)15-18-6-4-3-5-7-18)20(14-26)24(33-22)28-23(30)12-17-8-10-19(11-9-17)34(27,31)32/h8-11,18H,3-7,12-13,15-16H2,1-2H3,(H,28,30)(H2,27,31,32)
SMILES Code
O=C(NC(S1)=C(C#N)C2=C1CC(C)(C)N(CC3CCCCC3)C2)CC4=CC=C(S(=O)(N)=O)C=C4
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

Preparing Stock Solutions

The following data is based on the product molecular weight 500.68 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: Moquin SA, Simon O, Karuna R, Lakshminarayana SB, Yokokawa F, Wang F, Saravanan C, Zhang J, Day CW, Chan K, Wang QY, Lu S, Dong H, Wan KF, Lim SP, Liu W, Seh CC, Chen YL, Xu H, Barkan DT, Kounde CS, Sim WLS, Wang G, Yeo HQ, Zou B, Chan WL, Ding M, Song JG, Li M, Osborne C, Blasco F, Sarko C, Beer D, Bonamy GMC, Sasseville VG, Shi PY, Diagana TT, Yeung BKS, Gu F. NITD-688, a pan- serotype inhibitor of the dengue virus NS4B protein, shows favorable pharmacokinetics and efficacy in preclinical animal models. Sci Transl Med. 2021 Feb 3;13(579):eabb2181. doi: 10.1126/scitranslmed.abb2181. PMID: 33536278.