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MedKoo Cat#: 407445 | Name: SLC4101431

Description:

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

SLC4101431 is a potent SphK2 inhibitor (Ki = 90 nM, 100-fold SphK2 selectivity).

Chemical Structure

SLC4101431
SLC4101431
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 407445

Name: SLC4101431

CAS#: Unknown

Chemical Formula: C29H28ClN7OS

Exact Mass:

Molecular Weight: 558.10

Elemental Analysis: C, 62.41; H, 5.06; Cl, 6.35; N, 17.57; O, 2.87; S, 5.74

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
SLC4101431; SLC-4101431; SLC 4101431.
IUPAC/Chemical Name
(S)-(2-((3-(4-((4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)amino)phenyl)-1,2,4-oxadiazol-5-yl)methyl)pyrrolidin-1-yl)(amino)methaniminium chloride
InChi Key
WVHXWAZCJVDGOD-JIDHJSLPSA-N
InChi Code
InChI=1S/C29H27N7OS.ClH/c30-28(31)36-16-4-7-24(36)17-26-34-27(35-37-26)22-12-14-23(15-13-22)32-29-33-25(18-38-29)21-10-8-20(9-11-21)19-5-2-1-3-6-19;/h1-3,5-6,8-15,18,24H,4,7,16-17H2,(H3,30,31)(H,32,33);1H/t24-;/m0./s1
SMILES Code
NC(N1CCC[C@H]1CC2=NC(C3=CC=C(NC4=NC(C5=CC=C(C6=CC=CC=C6)C=C5)=CS4)C=C3)=NO2)=[NH2+].[Cl-]
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
>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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 558.10 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: Childress ES, Kharel Y, Brown AM, Bevan DR, Lynch KR, Santos WL. Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and In Vivo Activity. J Med Chem. 2017 Apr 13. doi: 10.1021/acs.jmedchem.7b00233. [Epub ahead of print] PubMed PMID: 28406646.