VRT-18858 | CAS# 192756-07-3 | VX-740 Metabolite

MedKoo Cat#: 564211 | Name: VRT-18858

Description:

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

VRT-18858 is a metabolite of VX-740 (Pralnacasan). Pralnacasan is an potent ICE inhibitor for the potential treatment of inflammatory diseases.

Chemical Structure

VRT-18858

CAS#192756-07-3

Theoretical Analysis

MedKoo Cat#: 564211

Name: VRT-18858

CAS#: 192756-07-3

Chemical Formula: C24H25N5O7

Exact Mass: 495.1754

Molecular Weight: 495.49

Elemental Analysis: C, 58.18; H, 5.09; N, 14.13; O, 22.60

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

VRT18858; VRT 18858; VRT-18858; metabolite of Pralnacasan; metabolite of VX740;

IUPAC/Chemical Name

(S)-3-((1S,9S)-9-(Isoquinoline-1-carboxamido)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxamido)-4-oxobutanoic acid

InChi Key

CUVNEENHHCPUBW-SZMVWBNQSA-N

InChi Code

InChI=1S/C24H25N5O7/c30-13-15(12-20(32)33)26-22(34)18-6-3-11-28-19(31)8-7-17(24(36)29(18)28)27-23(35)21-16-5-2-1-4-14(16)9-10-25-21/h1-2,4-5,9-10,13,15,17-18H,3,6-8,11-12H2,(H,26,34)(H,27,35)(H,32,33)/t15-,17-,18-/m0/s1

SMILES Code

O=C(O)C[C@H](NC([C@@H]1CCCN2N1C([C@@H](NC(C3=NC=CC4=C3C=CC=C4)=O)CCC2=O)=O)=O)C=O

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 495.49 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.

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: Rudolphi K, Gerwin N, Verzijl N, van der Kraan P, van den Berg W. Pralnacasan, an inhibitor of interleukin-1beta converting enzyme, reduces joint damage in two murine models of osteoarthritis. Osteoarthritis Cartilage. 2003 Oct;11(10):738-46. PubMed PMID: 13129693.