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MedKoo Cat#: 465538 | Name: ASP5286

Description:

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

ASP5286 is a novel non-immunosuppressive cyclophilin inhibitor for the treatment of HCV.

Chemical Structure

ASP5286
ASP5286
CAS#935735-70-9

Theoretical Analysis

MedKoo Cat#: 465538

Name: ASP5286

CAS#: 935735-70-9

Chemical Formula: C60H107N11O13

Exact Mass: 1189.8050

Molecular Weight: 1190.58

Elemental Analysis: C, 60.53; H, 9.06; N, 12.94; O, 17.47

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 #
No Data
Synonym
ASP5286; ASP 5286; ASP-5286;
IUPAC/Chemical Name
(3S,6S,9S,12S,15S,18S,21R,24S,27S,30S,33S)-9-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6-((R)-1-hydroxyethyl)-15,18,27,30-tetraisobutyl-12-isopropyl-1,3,4,10,13,19,21,24,28,33-decamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
InChi Key
YHINOWYTJBQRIA-YRXWFUDGSA-N
InChi Code
InChI=1S/C60H107N11O13/c1-24-25-26-36(12)49(73)48-54(78)65-46(41(17)72)59(83)67(19)40(16)56(80)66(18)39(15)51(75)63-42(27-31(2)3)57(81)69(21)44(29-33(6)7)52(76)61-37(13)50(74)62-38(14)55(79)68(20)45(30-34(8)9)53(77)64-43(28-32(4)5)58(82)70(22)47(35(10)11)60(84)71(48)23/h24-25,31-49,72-73H,26-30H2,1-23H3,(H,61,76)(H,62,74)(H,63,75)(H,64,77)(H,65,78)/b25-24+/t36-,37+,38-,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49-/m1/s1
SMILES Code
O=C([C@H](C)N(C)C([C@H]([C@H](O)C)NC([C@H]([C@H](O)[C@H](C)C/C=C/C)N(C)C([C@H](C(C)C)N(C)C([C@H](CC(C)C)NC([C@H](CC(C)C)N(C)C([C@@H](C)NC([C@H](C)NC([C@H](CC(C)C)N(C)C([C@H](CC(C)C)N1)=O)=O)=O)=O)=O)=O)=O)=O)=O)N(C)[C@@H](C)C1=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 1,190.58 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: Makino T, Yoshimura S, Neya M, Yamanaka T, Sawada M, Tsujii E, Barrett D. Discovery of ASP5286: A novel non-immunosuppressive cyclophilin inhibitor for the treatment of HCV. Bioorg Med Chem Lett. 2020 Aug 15;30(16):127308. doi: 10.1016/j.bmcl.2020.127308. Epub 2020 Jun 4. PMID: 32631528.