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MedKoo Cat#: 126378 | Name: YIR-821

Description:

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

YIR-821 is an HIV entry inhibitor.

Chemical Structure

YIR-821
YIR-821
CAS#1883372-91-5

Theoretical Analysis

MedKoo Cat#: 126378

Name: YIR-821

CAS#: 1883372-91-5

Chemical Formula: C26H40ClN7O3

Exact Mass: 533.2881

Molecular Weight: 534.10

Elemental Analysis: C, 58.47; H, 7.55; Cl, 6.64; N, 18.36; O, 8.99

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
YIR-821; YIR821; YIR 821
IUPAC/Chemical Name
N1-(4-chlorophenyl)-N2-(1-(2-(5-((diaminomethylene)amino)pentanamido)ethyl)-1-azaspiro[5.5]undecan-4-yl)oxalamide
InChi Key
NFDAXDYPSSRZOD-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H40ClN7O3/c27-19-7-9-20(10-8-19)32-23(36)24(37)33-21-11-16-34(26(18-21)12-3-1-4-13-26)17-15-30-22(35)6-2-5-14-31-25(28)29/h7-10,21H,1-6,11-18H2,(H,30,35)(H,32,36)(H,33,37)(H4,28,29,31)
SMILES Code
C1CCC2(CC1)CC(CCN2CCNC(=O)CCCCN=C(N)N)NC(=O)C(=O)NC3=CC=C(C=C3)Cl
Appearance
To be determined
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 534.10 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: Matsumoto K, Kuwata T, Tolbert WD, Richard J, Ding S, Prévost J, Takahama S, Judicate GP, Ueno T, Nakata H, Kobayakawa T, Tsuji K, Tamamura H, Smith AB 3rd, Pazgier M, Finzi A, Matsushita S. Characterization of a Novel CD4 Mimetic Compound YIR-821 against HIV-1 Clinical Isolates. J Virol. 2023 Jan 31;97(1):e0163822. doi: 10.1128/jvi.01638-22. Epub 2022 Dec 13. PMID: 36511698; PMCID: PMC9888228. 2: Tsuji K, Kobayakawa T, Konno K, Masuda A, Takahashi K, Ohashi N, Yoshimura K, Kuwata T, Matsushita S, Harada S, Tamamura H. Exploratory studies on soluble small molecule CD4 mimics as HIV entry inhibitors. Bioorg Med Chem. 2022 Feb 15;56:116616. doi: 10.1016/j.bmc.2022.116616. Epub 2022 Jan 12. PMID: 35063895. 3: Ohashi N, Harada S, Mizuguchi T, Irahara Y, Yamada Y, Kotani M, Nomura W, Matsushita S, Yoshimura K, Tamamura H. Small-Molecule CD4 Mimics Containing Mono-cyclohexyl Moieties as HIV Entry Inhibitors. ChemMedChem. 2016 Apr 19;11(8):940-6. doi: 10.1002/cmdc.201500590. Epub 2016 Feb 17. PMID: 26891461. 4: Kobayakawa T, Ohashi N, Hirota Y, Takahashi K, Yamada Y, Narumi T, Yoshimura K, Matsushita S, Harada S, Tamamura H. Flexibility of small molecular CD4 mimics as HIV entry inhibitors. Bioorg Med Chem. 2018 Nov 15;26(21):5664-5671. doi: 10.1016/j.bmc.2018.10.011. Epub 2018 Oct 16. PMID: 30366786. 5: Wang R, Tsuji K, Kobayakawa T, Liu Y, Yoshimura K, Matsushita S, Harada S, Tamamura H. Hybrids of small CD4 mimics and gp41-related peptides as dual-target HIV entry inhibitors. Bioorg Med Chem. 2022 Dec 15;76:117083. doi: 10.1016/j.bmc.2022.117083. Epub 2022 Nov 7. PMID: 36403413.

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