MedKoo Cat#: 564254 | Name: S1PL-IN-31
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Description:

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

S1PL-IN-31 is an inhibitor of the sphingosine-1-phosphate (S1P)-catabolizing enzyme S1P Lyase (S1PL) and an antagonist of the 7-transmembrane helical protein Smoothened.

Chemical Structure

S1PL-IN-31
S1PL-IN-31
CAS#1538574-95-6

Theoretical Analysis

MedKoo Cat#: 564254

Name: S1PL-IN-31

CAS#: 1538574-95-6

Chemical Formula: C26H23ClN6

Exact Mass: 454.1673

Molecular Weight: 454.96

Elemental Analysis: C, 68.64; H, 5.10; Cl, 7.79; N, 18.47

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
10mg USD 750.00 2 Weeks
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Synonym
S1P Lyase inhibitor-31; S1PLIN31; S1PLIN-31; S1PL-IN31; S1PL IN 31; S1PL-IN-31
IUPAC/Chemical Name
6-[(2R)-4-(4-Benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
InChi Key
XUZUIICAPXZZDU-GOSISDBHSA-N
InChi Code
InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1
SMILES Code
N#CC1=CC=C(N2[C@H](C)CN(C3=NN=C(CC4=CC=CC=C4)C5=C3C=C(Cl)C=C5)CC2)N=C1
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 454.96 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