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MedKoo Cat#: 150048 | Name: BI7446

Description:

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

BI7446 is a STING Agonist. BI7446 has attractive drug-like properties for development as an intratumoral agent. Injection of low doses of BI7446 into tumors in mice induces long-lasting, tumor-specific immune-mediated tumor rejection.

Chemical Structure

BI7446
BI7446
CAS#2767011-00-5

Theoretical Analysis

MedKoo Cat#: 150048

Name: BI7446

CAS#: 2767011-00-5

Chemical Formula: C20H22FN9O10P2S2

Exact Mass: 693.0390

Molecular Weight: 693.52

Elemental Analysis: C, 34.64; H, 3.20; F, 2.74; N, 18.18; O, 23.07; P, 8.93; S, 9.25

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
BI7446; BI 7446; BI-7446;
IUPAC/Chemical Name
3-[(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-Aminopurin-9-yl)-9-fluoro-12,18-dihydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-imidazo[4,5-d]pyridazin-7-one
InChi Key
DAWAAQFAHQWLHI-XWOMVGJLSA-N
InChi Code
1S/C20H22FN9O10P2S2/c21-10-14-9(38-19(10)30-6-26-12-16(22)23-4-24-17(12)30)3-36-42(34,44)40-15-13(31)8(2-35-41(33,43)39-14)37-20(15)29-5-25-11-7(29)1-27-28-18(11)32/h1,4-6,8-10,13-15,19-20,31H,2-3H2,(H,28,32)(H,33,43)(H,34,44)(H2,22,23,24)/t8-,9-,10-,13-,14-,15-,19-,20-,41?,42?/m1/s1
SMILES Code
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3C=NNC4=O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)F)OP(=S)(O1)O)S)O
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 693.52 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: Kuttruff CA, Fleck M, Carotta S, Arnhof H, Bretschneider T, Dahmann G, Gremel G, Grube A, Handschuh S, Heimann A, Hofmann MH, Impagnatiello MA, Nar H, Rast G, Schaaf O, Schmidt E, Oost T. Discovery of BI 7446: A Potent Cyclic Dinucleotide STING Agonist with Broad-Spectrum Variant Activity for the Treatment of Cancer. J Med Chem. 2023 Jul 27;66(14):9376-9400. doi: 10.1021/acs.jmedchem.3c00510. Epub 2023 Jul 14. PMID: 37450324.

View History

BIBR1591

BIBR1591