MedKoo Cat#: 128126 | Name: X-17

Description:

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

X-17 is a Vanin‑1 Inhibitors for Inflammatory Bowel Disease Treatment. X17 demonstrated potent inhibition against vanin-1 at the protein, HT-29 cell, and tissue levels, whose binding mode with the target was confirmed via the cocrystal structure. X17 achieved a high bioavailability of 81% in rats, accompanied by concentration-dependent inhibition of serum vanin-1. In a DSS-induced mouse colitis model, X17 exhibited potent anti-inflammatory and antioxidant activities, repressing the inflammatory factor expressions and myeloperoxidase activity, elevating the colonic glutathione reserve, and restoring the intestinal barrier.

Chemical Structure

X-17
X-17
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128126

Name: X-17

CAS#: N/A

Chemical Formula: C16H23N3O3S

Exact Mass: 337.1460

Molecular Weight: 337.44

Elemental Analysis: C, 56.95; H, 6.87; N, 12.45; O, 14.22; S, 9.50

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
X-17; X 17; X17
IUPAC/Chemical Name
(S)-(2-(3-hydroxypyrrolidin-1-yl)thiazol-5-yl)(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
InChi Key
PDHLSHPRWHXZMR-LBPRGKRZSA-N
InChi Code
InChI=1S/C16H23N3O3S/c20-12-1-5-18(10-12)15-17-9-13(23-15)14(21)19-6-2-16(11-19)3-7-22-8-4-16/h9,12,20H,1-8,10-11H2/t12-/m0/s1
SMILES Code
O[C@H]1CCN(C2=NC=C(C(N3CC4(CCOCC4)CC3)=O)S2)C1
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 337.44 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
Discovery of Thiazole Carboxamides as Novel Vanin-1 Inhibitors for Inflammatory Bowel Disease Treatment Tao Xie, Gao-Yao Cao, Shize Zhang, Meng-Ke Li, Xin Jin, Liu Liu, Guangji Wang, and Le Zhen Journal of Medicinal Chemistry Article ASAP DOI: 10.1021/acs.jmedchem.4c01838