MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 576988 | Name: MDL-104168

Description:

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

MDL-104168 is a macrocyclic HIV-protease inhibitor.

Chemical Structure

MDL-104168
MDL-104168
CAS#158268-42-9

Theoretical Analysis

MedKoo Cat#: 576988

Name: MDL-104168

CAS#: 158268-42-9

Chemical Formula: C27H30F2N4O6

Exact Mass: 544.2133

Molecular Weight: 544.56

Elemental Analysis: C, 59.55; H, 5.55; F, 6.98; N, 10.29; O, 17.63

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
MDL104168; MDL 104168; MDL-104168
IUPAC/Chemical Name
2-Oxa-5,8,11-triazabicyclo(12.2.2)octadeca-14,16,17-triene-12-propanamide, alpha,alpha-difluoro-9-(1-methylethyl)-beta,4,7,10-tetraoxo-N-(phenylmethyl)-, (9S-(9R*,12R*))-
InChi Key
MVKGTDBRRUDJAK-REWPJTCUSA-N
InChi Code
InChI=1S/C27H30F2N4O6/c1-16(2)23-25(37)31-20(24(36)27(28,29)26(30)38)12-17-8-10-19(11-9-17)39-15-22(35)33(14-21(34)32-23)13-18-6-4-3-5-7-18/h3-11,16,20,23H,12-15H2,1-2H3,(H2,30,38)(H,31,37)(H,32,34)/t20-,23-/m0/s1
SMILES Code
CC(C)[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)COc3ccc(C[C@H](NC1=O)C(=O)C(F)(F)C(=O)N)cc3
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 544.56 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. Podlogar BL, Farr RA, Friedrich D, Tarnus C, Huber EW, Cregge RJ, Schirlin D. Design, synthesis, and conformational analysis of a novel macrocyclic HIV-protease inhibitor. J Med Chem. 1994 Oct 28;37(22):3684-92. doi: 10.1021/jm00048a004. PMID: 7966128.