S516
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 462379

CAS#: 1016543-77-3

Description: S516 is an active metabolite of CKD-516 and a potent tubulin polymerization inhibitor.

Chemical Structure

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S516
CAS# 1016543-77-3
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 462379
Name: S516
CAS#: 1016543-77-3
Chemical Formula: C21H19N5O4S
Exact Mass: 437.12
Molecular Weight: 437.474
Elemental Analysis: C, 57.66; H, 4.38; N, 16.01; O, 14.63; S, 7.33

Price and Availability

Size Price Availability Quantity
5mg USD 530 2 Weeks
10mg USD 840 2 Weeks
25mg USD 1440 2 Weeks
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Synonym: S516; S 516; S-516

IUPAC/Chemical Name: (4-(2-aminothiazol-4-yl)-2-(1H-1,2,4-triazol-1-yl)phenyl)(3,4,5-trimethoxyphenyl)methanone

InChi Key: OJZSPKKXYGZDRQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H19N5O4S/c1-28-17-7-13(8-18(29-2)20(17)30-3)19(27)14-5-4-12(15-9-31-21(22)25-15)6-16(14)26-11-23-10-24-26/h4-11H,1-3H3,(H2,22,25)

SMILES Code: O=C(C1=CC=C(C2=CSC(N)=N2)C=C1N3N=CN=C3)C4=CC(OC)=C(OC)C(OC)=C4

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: 2934.99.9001

More Info:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 12.5 28.57

Preparing Stock Solutions

The following data is based on the product molecular weight 437.47 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:
In vitro protocol:
In vivo protocol:

Molarity Calculator

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Reconstitution Calculator

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1: Lee J, Kim SJ, Choi H, et al. Identification of CKD-516: a potent tubulin polymerization inhibitor with marked antitumor activity against murine and human solid tumors. J Med Chem. 2010;53(17):6337-6354. doi:10.1021/jm1002414