WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H564254
CAS#: 1538574-95-6
Description: 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.
Hodoodo Cat#: H564254
Name: S1PL-IN-31
CAS#: 1538574-95-6
Chemical Formula: C26H23ClN6
Exact Mass: 454.17
Molecular Weight: 454.960
Elemental Analysis: C, 68.64; H, 5.10; Cl, 7.79; N, 18.47
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:
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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.
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: |