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MedKoo Cat#: 130268 | Name: ABC747080

Description:

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

ABC747080 is an orally bioavailable sphingosine kinase (SK) inhibitor for the treatment of ulcerative colitis. ABC747080 was found to prevent TNFα from activating NFκB, producing PGE2NFκB, and expressing adhesion proteins.

Chemical Structure

ABC747080
ABC747080
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130268

Name: ABC747080

CAS#: N/A

Chemical Formula: C23H21ClN2O4S

Exact Mass: 456.0911

Molecular Weight: 456.94

Elemental Analysis: C, 60.46; H, 4.63; Cl, 7.76; N, 6.13; O, 14.01; S, 7.02

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
ABC747080; ABC 747080; ABC-747080
IUPAC/Chemical Name
(E)-5-(3-((4-(4-chlorophenyl)thiazol-2-yl)amino)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl butyrate
InChi Key
QDCQMJDZTKMTKX-WUXMJOGZSA-N
InChi Code
InChI=1S/C23H21ClN2O4S/c1-3-4-22(28)30-20-13-15(5-11-19(20)29-2)6-12-21(27)26-23-25-18(14-31-23)16-7-9-17(24)10-8-16/h5-14H,3-4H2,1-2H3,(H,25,26,27)/b12-6+
SMILES Code
CCCC(OC1=CC(/C=C/C(NC2=NC(C3=CC=C(Cl)C=C3)=CS2)=O)=CC=C1OC)=O
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 456.94 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. Maines LW, Fitzpatrick LR, French KJ, Zhuang Y, Xia Z, Keller SN, Upson JJ, Smith CD. Suppression of ulcerative colitis in mice by orally available inhibitors of sphingosine kinase. Dig Dis Sci. 2008 Apr;53(4):997-1012. doi: 10.1007/s10620-007-0133-6. Epub 2007 Dec 4. PMID: 18058233; PMCID: PMC2660406. 2. Degagné E, Saba JD. S1pping fire: Sphingosine-1-phosphate signaling as an emerging target in inflammatory bowel disease and colitis-associated cancer. Clin Exp Gastroenterol. 2014 Jun 30;7:205-14. doi: 10.2147/CEG.S43453. PMID: 25061328; PMCID: PMC4085325.