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MedKoo Cat#: 413702 | Name: Diclofenac etalhyaluronate

Description:

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

Diclofenac etalhyaluronate is used in the treatment of signs and symptoms of Osteoarthritis of the knee. Diclofenac etalhyaluronate (DF-HA) (ONO-5704/SI-613) is a novel HA derivative (600 000–1 200 000 Da) in which the DF molecule is attached via a 2-aminoethanol linker to the glucuronic acid moiety of HA. It was developed as an IA injectable drug for the treatment of OA (Fig. 1A).

Chemical Structure

Diclofenac etalhyaluronate
CAS#1608089-20-8 (free)

Theoretical Analysis

MedKoo Cat#: 413702

Name: Diclofenac etalhyaluronate

CAS#: 1608089-20-8 (free)

Chemical Formula: C58H79Cl2N5O35

Exact Mass: 1475.3933

Molecular Weight: 1477.17

Elemental Analysis: C, 47.16; H, 5.39; Cl, 4.80; N, 4.74; O, 37.91

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 #
1398396-25-2 (Na) 1608089-20-8 (free)
Synonym
Diclofenac etalhyaluronate; SI613; SI 613; SI-613
IUPAC/Chemical Name
(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethylcarbamoyl]-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChi Key
SBQKIAATAMGBFR-NOWFGEBOSA-N
InChi Code
InChI=1S/C58H79Cl2N5O35/c1-17(69)62-29-42(32(73)24(14-66)90-53(29)88)93-58-41(82)38(79)46(49(100-58)52(86)87)97-55-31(64-19(3)71)44(34(75)26(16-68)92-55)95-57-40(81)37(78)45(48(99-57)50(83)61-11-12-89-27(72)13-20-7-4-5-10-23(20)65-28-21(59)8-6-9-22(28)60)96-54-30(63-18(2)70)43(33(74)25(15-67)91-54)94-56-39(80)35(76)36(77)47(98-56)51(84)85/h4-10,24-26,29-49,53-58,65-68,73-82,88H,11-16H2,1-3H3,(H,61,83)(H,62,69)(H,63,70)(H,64,71)(H,84,85)(H,86,87)/t24-,25-,26-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45+,46+,47+,48+,49+,53-,54+,55+,56-,57-,58-/m1/s1
SMILES Code
O=C([C@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](C(NCCOC(CC4=CC=CC=C4NC5=C(Cl)C=CC=C5Cl)=O)=O)O[C@@H](O[C@@H]6[C@@H](NC(C)=O)[C@H](O[C@@H]7[C@@H](C(O)=O)O[C@@H](O[C@@H]8[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]8O)[C@H](O)[C@H]7O)O[C@H](CO)[C@H]6O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)O
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
>2 years if stored properly
Drug Formulation
To be determined
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 1,477.17 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: Kisukeda T, Onaya J, Yoshioka K. Effect of diclofenac etalhyaluronate (SI-613) on the production of high molecular weight sodium hyaluronate in human synoviocytes. BMC Musculoskelet Disord. 2019 May 10;20(1):201. doi: 10.1186/s12891-019-2586-0. PMID: 31077160; PMCID: PMC6511136. 2: Yoshioka K, Kisukeda T, Zuinen R, Yasuda Y, Miyamoto K. Pharmacological effects of N-[2-[[2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetyl]oxy]ethyl]hyaluronamide (diclofenac Etalhyaluronate, SI-613), a novel sodium hyaluronate derivative chemically linked with diclofenac. BMC Musculoskelet Disord. 2018 May 22;19(1):157. doi: 10.1186/s12891-018-2077-8. PMID: 29789008; PMCID: PMC5964640. 3: Nishida Y, Kano K, Nobuoka Y, Seo T. Sustained-release diclofenac conjugated to hyaluronate (diclofenac etalhyaluronate) for knee osteoarthritis: a randomized phase 2 study. Rheumatology (Oxford). 2021 Mar 2;60(3):1435-1444. doi: 10.1093/rheumatology/keaa605. PMID: 33006602; PMCID: PMC7937021. 4: Ishii S, Yoshioka K, Morita D. [Residual Property of SI-613, a Novel Drug for Osteoarthritis, in Knee Joint]. Yakugaku Zasshi. 2020;140(9):1141-1150. Japanese. doi: 10.1248/yakushi.20-00008. PMID: 32879246. 5: Nishida Y, Kano K, Nobuoka Y, Seo T. Efficacy and safety of diclofenac- hyaluronate conjugate (diclofenac etalhyaluronate) for knee osteoarthritis: a randomized phase 3 trial in Japan. Arthritis Rheumatol. 2021 Mar 22. doi: 10.1002/art.41725. Epub ahead of print. PMID: 33749997. 6: Nishida Y, Kano K, Osato T, Seo T. Open-label phase 3 study of diclofenac conjugated to hyaluronate (diclofenac etalhyaluronate: ONO-5704/SI-613) for treatment of osteoarthritis: 1-year follow-up. BMC Musculoskelet Disord. 2021 Mar 1;22(1):233. doi: 10.1186/s12891-021-04108-9. PMID: 33648473; PMCID: PMC7923517.