MedKoo Cat#: 206789 | Name: Sudoterb HCl

Description:

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

Sudoterb, also known as LL3858, is an anti-tubercular drug candidate. It exhibits potent activity against Mycobacterium tuberculosis, including multidrug-resistant (MDR) and extensively drug-resistant (XDR) strains. Its mechanism of action is believed to involve inhibition of bacterial ATP synthase, similar to bedaquiline, leading to energy depletion in M. tuberculosis. In vitro, LL3858 has demonstrated a minimum inhibitory concentration (MIC) in the low micromolar to submicromolar range, with reported MIC₉₀ values around 0.06–0.5 µg/mL. Preclinical efficacy studies in murine TB models showed significant reduction in bacterial load in both lung and spleen tissues when administered orally. LL3858 advanced to Phase I clinical trials in India, where it was found to be generally well tolerated, although its development was reportedly paused due to strategic shifts. Nonetheless, it remains a notable candidate from the Indian TB drug discovery pipeline, offering a promising alternative to current anti-TB therapies.

Chemical Structure

Sudoterb HCl
Sudoterb HCl
CAS#1044503-04-9 (2HCl)

Theoretical Analysis

MedKoo Cat#: 206789

Name: Sudoterb HCl

CAS#: 1044503-04-9 (2HCl)

Chemical Formula: C29H30Cl2F3N5O

Exact Mass: 0.0000

Molecular Weight: 592.49

Elemental Analysis: C, 58.79; H, 5.10; Cl, 11.97; F, 9.62; N, 11.82; O, 2.70

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
Sudoterb HCl; Sudoterb dihydrchloride; LL3858; LL-3858; LL 3858.
IUPAC/Chemical Name
N-(2-methyl-5-phenyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-1H-pyrrol-1-yl)isonicotinamide dihydrochloride
InChi Key
FVWAUSWEYDJAAM-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H28F3N5O.2ClH/c1-21-24(20-35-14-16-36(17-15-35)26-9-5-8-25(19-26)29(30,31)32)18-27(22-6-3-2-4-7-22)37(21)34-28(38)23-10-12-33-13-11-23;;/h2-13,18-19H,14-17,20H2,1H3,(H,34,38);2*1H
SMILES Code
O=C(C1=CC=NC=C1)NN2C(C)=C(CN3CCN(C4=CC=CC(C(F)(F)F)=C4)CC3)C=C2C5=CC=CC=C5.[H]Cl.[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
>2 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 592.49 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: Didilescu C, Craiova UM. [Present and future in the use of anti-tubercular drugs]. Pneumologia. 2011 Oct-Dec;60(4):198-201. Romanian. PubMed PMID: 22420168. 2: Nuermberger EL, Spigelman MK, Yew WW. Current development and future prospects in chemotherapy of tuberculosis. Respirology. 2010 Jul;15(5):764-78. doi: 10.1111/j.1440-1843.2010.01775.x. Review. PubMed PMID: 20546189; PubMed Central PMCID: PMC4461445. 3: LL-3858. Tuberculosis (Edinb). 2008 Mar;88(2):126. doi: 10.1016/S1472-9792(08)70015-5. Review. PubMed PMID: 18486049. 4: Ginsberg AM. Drugs in development for tuberculosis. Drugs. 2010 Dec 3;70(17):2201-14. doi: 10.2165/11538170-000000000-00000. Review. PubMed PMID: 21080738.