MDL-101146, (S)- | CAS#163660-59-1 | neutrophil elastase inhibitor

MedKoo Cat#: 597840 | Name: MDL-101146, (S)-

Description:

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

MDL-101146, (S)- is a potent orally active inhibitor of human neutrophil elastase.

Chemical Structure

MDL-101146, (S)-

CAS#163660-59-1

Theoretical Analysis

MedKoo Cat#: 597840

Name: MDL-101146, (S)-

CAS#: 163660-59-1

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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Related CAS #

163660-53-5 (R isomer)

Synonym

MDL-101146, (S)-; MDL 101146, (S)-; MDL101146, (S)-;

IUPAC/Chemical Name

(S)-1-((4-(morpholine-4-carbonyl)benzoyl)-L-valyl)-N-((S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)pyrrolidine-2-carboxamide

InChi Key

XQAMVCHQGHAELT-FKBYEOEOSA-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(N[C@@H](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

Instruction

View handling instruction

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.

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.