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

MedKoo CAT#: 406470

CAS#: 917236-13-6

Description: ABC294735 is a dual SK1/SK2 inhibitor with potential anticancer activity.

Chemical Structure

CAS# 917236-13-6

Theoretical Analysis

MedKoo Cat#: 406470
Name: ABC294735
CAS#: 917236-13-6
Chemical Formula: C24H26ClNO3
Exact Mass: 411.16012
Molecular Weight: 411.92114
Elemental Analysis: C, 69.98; H, 6.36; Cl, 8.61; N, 3.40; O, 11.65

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Synonym: ABC294735; ABC-294735; ABC 294735.

IUPAC/Chemical Name: (1s,3r,5R,7S)-3-(4-chlorophenyl)-N-(3,4-dihydroxybenzyl)adamantane-1-carboxamide


InChi Code: InChI=1S/C24H26ClNO3/c25-19-4-2-18(3-5-19)23-9-16-7-17(10-23)12-24(11-16,14-23)22(29)26-13-15-1-6-20(27)21(28)8-15/h1-6,8,16-17,27-28H,7,9-14H2,(H,26,29)/t16-,17+,23+,24-

SMILES Code: O=C([C@@]12C[C@]3(C4=CC=C(Cl)C=C4)C[C@@](C2)([H])C[C@](C3)([H])C1)NCC5=CC=C(O)C(O)=C5

Appearance: white 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, not in water

Shelf Life: >2 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: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 411.92114 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

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1: Gao P, Peterson YK, Smith RA, Smith CD. Characterization of isoenzyme-selective inhibitors of human sphingosine kinases. PLoS One. 2012;7(9):e44543. doi: 10.1371/journal.pone.0044543. Epub 2012 Sep 10. PubMed PMID: 22970244; PubMed Central PMCID: PMC3438171.

2: Beljanski V, Knaak C, Zhuang Y, Smith CD. Combined anticancer effects of sphingosine kinase inhibitors and sorafenib. Invest New Drugs. 2011 Dec;29(6):1132-42. doi: 10.1007/s10637-010-9452-0. Epub 2010 May 18. PubMed PMID: 20473784; PubMed Central PMCID: PMC3089696.

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