MedKoo Cat#: 145942 | Name: TMC-558445

Description:

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

TMC-558445 is a novel small molecule compound under investigation for its potential in treating various infectious diseases, particularly viral infections like hepatitis C. It works by inhibiting specific enzymes or proteins that are essential for the replication of the virus, thus preventing its spread within the body. The mechanism of TMC-558445 likely involves targeting viral proteases or polymerases, which are crucial for viral lifecycle and replication. Due to its antiviral activity, it is being studied for use as part of combination therapies in managing chronic viral infections.

Chemical Structure

TMC-558445
TMC-558445
CAS#1160489-55-3

Theoretical Analysis

MedKoo Cat#: 145942

Name: TMC-558445

CAS#: 1160489-55-3

Chemical Formula: C30H37N5O5S

Exact Mass: 579.2500

Molecular Weight: 579.72

Elemental Analysis: C, 62.16; H, 6.43; N, 12.08; O, 13.80; S, 5.53

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
TMC-558445; TMC558445; TMC 558445;
IUPAC/Chemical Name
thiazol-5-ylmethyl ((2S,3R)-4-(2-(ethyl(methyl)amino)-N-isobutylbenzo[d]oxazole-6-carboxamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate
InChi Key
RGTBBKSFLZZHLT-IZZNHLLZSA-N
InChi Code
1S/C30H37N5O5S/c1-5-34(4)29-32-24-12-11-22(14-27(24)40-29)28(37)35(16-20(2)3)17-26(36)25(13-21-9-7-6-8-10-21)33-30(38)39-18-23-15-31-19-41-23/h6-12,14-15,19-20,25-26,36H,5,13,16-18H2,1-4H3,(H,33,38)/t25-,26+/m0/s1
SMILES Code
CCN(C)C1=NC2=CC=C(C=C2O1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4
Appearance
To be determined
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 579.72 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