MedKoo Cat#: 597835 | Name: MDL 101146

Description:

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

MDL 101146 is an orally active inhibitor of neutrophil elastase.

Chemical Structure

MDL 101146
MDL 101146
CAS#149859-17-6

Theoretical Analysis

MedKoo Cat#: 597835

Name: MDL 101146

CAS#: 149859-17-6

Chemical Formula: C29H37F5N4O6

Exact Mass: 632.2633

Molecular Weight: 632.62

Elemental Analysis: C, 55.06; H, 5.90; F, 15.02; N, 8.86; O, 15.17

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
MDL 101146; MDL-101146; MDL101146; MDL 101,146; MDL-101,146; MD 101,146;
IUPAC/Chemical Name
(2S)-1-((4-(morpholine-4-carbonyl)benzoyl)-L-valyl)-N-(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)pyrrolidine-2-carboxamide
InChi Key
XQAMVCHQGHAELT-NHNZYLEHSA-N
InChi Code
InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21?,22-/m0/s1
SMILES Code
O=C(NC(C(C)C)C(C(F)(F)C(F)(F)F)=O)[C@H]1N(C([C@H](C(C)C)NC(C2=CC=C(C(N3CCOCC3)=O)C=C2)=O)=O)CCC1
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 632.62 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: Durham SL, Hare CM, Angelastro MR, Burkhart JP, Koehl JR, Marquart AL, Mehdi S, Peet NP, Janusz MJ. Pharmacology of N-[4-(4-morpholinylcarbonyl)benzoyl]-L-valyl-N- [3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]-L-prolinamide (MDL 101,146): a potent orally active inhibitor of human neutrophil elastase. J Pharmacol Exp Ther. 1994 Jul;270(1):185-91. Erratum in: J Pharmacol Exp Ther 1994 Dec;271(3):1720. PubMed PMID: 8035315. 2: Janusz MJ, Durham SL. Inhibition of cartilage degradation in rat collagen-induced arthritis but not adjuvant arthritis by the neutrophil elastase inhibitor MDL 101,146. Inflamm Res. 1997 Dec;46(12):503-8. PubMed PMID: 9459081. 3: Goodarzi M, Bora A, Borota A, Funar-Timofei S, Avram S, Heyden YV. Modeling of 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one derivatives by several conformational searching tools and molecular docking. Curr Pharm Des. 2013;19(12):2194-203. PubMed PMID: 23016845.