WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130268
CAS#: N/A
Description: 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.
Hodoodo Cat#: H130268
Name: ABC747080
CAS#: N/A
Chemical Formula: C23H21ClN2O4S
Exact Mass: 456.09
Molecular Weight: 456.940
Elemental Analysis: C, 60.46; H, 4.63; Cl, 7.76; N, 6.13; O, 14.01; S, 7.02
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.