Simetride
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MedKoo CAT#: 592899

CAS#: 154-82-5

Description: Simetride is used in the Reversal of resistance to vincristine in P388 leukemia. Simetride is a non-narcotic analgesic, it is an ingredient of Kyorin AP2 (a combination of Simetride and Anhydrous Caffeine (40:1)) in Japan. Kyorin AP2 is used to treat low back pain, symptomatic neuralgia, headache, menstrual pain, pharyngalgia/earache due to inflammation, toothache, postoperative pain.


Chemical Structure

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Simetride
CAS# 154-82-5

Theoretical Analysis

MedKoo Cat#: 592899
Name: Simetride
CAS#: 154-82-5
Chemical Formula: C28H38N2O6
Exact Mass: 498.27
Molecular Weight: 498.620
Elemental Analysis: C, 67.45; H, 7.68; N, 5.62; O, 19.25

Price and Availability

Size Price Availability Quantity
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1350 2 Weeks
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Synonym: Simetride; Kyorin AP 2; AP2; AP-2; AP2;

IUPAC/Chemical Name: 1,4-Bis((2-methoxy-4-propylphenoxy)acetyl)piperazine

InChi Key: IMOLVSPMDGCLMB-UHFFFAOYSA-N

InChi Code: InChI=1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3

SMILES Code: O=C(N1CCN(C(COC2=CC=C(CCC)C=C2OC)=O)CC1)COC3=CC=C(CCC)C=C3OC

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: To be determined

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:

Product Data:
Biological target: Simetride is an analgesic agent.
In vitro activity: In vincristine-resistant P388 leukemia cells, simetride remarkably potentiated the cytotoxicity of vincristine against the resistant cells. Reference: Cancer Res. 1988 Apr 15;48(8):2064-7. https://pubmed.ncbi.nlm.nih.gov/3349478/
In vivo activity: To be determined

Preparing Stock Solutions

The following data is based on the product molecular weight 498.62 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
Formulation protocol: 1. Inaba M, Maruyama E. Reversal of resistance to vincristine in P388 leukemia by various polycyclic clinical drugs, with a special emphasis on quinacrine. Cancer Res. 1988 Apr 15;48(8):2064-7. PMID: 3349478.
In vitro protocol: 1. Inaba M, Maruyama E. Reversal of resistance to vincristine in P388 leukemia by various polycyclic clinical drugs, with a special emphasis on quinacrine. Cancer Res. 1988 Apr 15;48(8):2064-7. PMID: 3349478.
In vivo protocol: To be determined

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1: Inaba M, Maruyama E. Reversal of resistance to vincristine in P388 leukemia by various polycyclic clinical drugs, with a special emphasis on quinacrine. Cancer Res. 1988 Apr 15;48(8):2064-7. PubMed PMID: 3349478.