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MedKoo Cat#: 573588 | Name: AI 77B

Description:

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

AI 77B is a pseudopeptide microbial agent with gastroprotective action.

Chemical Structure

AI 77B
AI 77B
CAS#77674-99-8

Theoretical Analysis

MedKoo Cat#: 573588

Name: AI 77B

CAS#: 77674-99-8

Chemical Formula: C20H28N2O8

Exact Mass: 424.1846

Molecular Weight: 424.45

Elemental Analysis: C, 56.60; H, 6.65; N, 6.60; O, 30.15

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
AI-77-B, AI 77B
IUPAC/Chemical Name
(3S,4S,5S)-3-amino-4,5-dihydroxy-6-(((S)-1-((S)-8-hydroxy-1-oxoisochroman-3-yl)-3-methylbutyl)amino)-6-oxohexanoic acid
InChi Key
LOXFXXGTOVWWQV-YKRRISCLSA-N
InChi Code
1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1
SMILES Code
c1c2C[C@H](OC(c2c(cc1)O)=O)[C@@H](NC([C@H]([C@H]([C@H](CC(=O)O)N)O)O)=O)CC(C)C
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

Preparing Stock Solutions

The following data is based on the product molecular weight 424.45 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: Ghosh AK, Bischoff A, Cappiello J. Stereoselective synthesis of pseudopeptide microbial agent AI-77-B. Org Lett. 2001 Aug 23;3(17):2677-80. PubMed PMID: 11506607. 2: Urushidani T, Kasuya Y, Yano S. Ulcerogenic and antiulcerogenic effects of a new antiinflammatory drug, the gamma-lactone-N-ethyl derivative of 6-[1S-(3S,4-dihydro-8-hydroxy-1H-2-benzo- pyran-1-one-3-yl)-3-methylbutylamino]-4S,5S-dihydroxy-6-oxo-3S- ammoniohexanoate, on gastrointestinal tract in rats. Arzneimittelforschung. 1986 Sep;36(9):1383-90. PubMed PMID: 3790191. 3: Shimojima Y, Shirai T, Baba T, Hayashi H. 1H-2-Benzopyran-1-one derivatives, microbial products with pharmacological activity. Conversion into orally active derivatives with antiinflammatory and antiulcer activities. J Med Chem. 1985 Jan;28(1):3-9. PubMed PMID: 3965711. 4: Shimojima Y, Hayashi H. 1H-2-benzopyran-1-one derivatives, microbial products with pharmacological activity. Relationship between structure and activity in 6-[[1(S)-(3(S),4- dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]-amino]-4(S), 5(S)-dihydroxy-6-oxo-3(S)-ammoniohexanoate. J Med Chem. 1983 Oct;26(10):1370-4. PubMed PMID: 6620300.