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MedKoo Cat#: 123539 | Name: SIAIS091

Description:

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

SIAIS091 is a PROTAC targeting ALK

Chemical Structure

SIAIS091
SIAIS091
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 123539

Name: SIAIS091

CAS#: N/A

Chemical Formula: C45H50N8O5

Exact Mass: 782.3900

Molecular Weight: 782.95

Elemental Analysis: C, 69.03; H, 6.44; N, 14.31; O, 10.22

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
SIAIS091; SIAIS-091; SIAIS 091
IUPAC/Chemical Name
8-(4-(4-((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)glycyl)piperazin-1-yl)piperidin-1-yl)-9-ethyl-6,6-dimethyl-11-oxo-5a,6,11,11a-tetrahydro-5H-benzo[b]carbazole-3-carbonitrile
InChi Key
HSNIRZIKMVVBCM-UHFFFAOYSA-N
InChi Code
InChI=1S/C45H50N8O5/c1-4-27-21-31-33(45(2,3)42-40(41(31)56)30-9-8-26(23-46)20-35(30)48-42)22-37(27)51-14-12-28(13-15-51)50-16-18-52(19-17-50)39(55)24-47-34-7-5-6-29-32(34)25-53(44(29)58)36-10-11-38(54)49-43(36)57/h5-9,20-22,28,36,40,42,47-48H,4,10-19,24-25H2,1-3H3,(H,49,54,57)
SMILES Code
O=C1N(C2C(NC(CC2)=O)=O)CC(C1=CC=C3)=C3NCC(N4CCN(C5CCN(C6=CC7=C(C(C(C(C=CC(C#N)=C8)=C8N9)C9C7(C)C)=O)C=C6CC)CC5)CC4)=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 782.95 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
He M, Cao C, Ni Z, Liu Y, Song P, Hao S, He Y, Sun X, Rao Y. PROTACs: great opportunities for academia and industry (an update from 2020 to 2021). Signal Transduct Target Ther. 2022 Jun 9;7(1):181. doi: 10.1038/s41392-022-00999-9. PMID: 35680848; PMCID: PMC9178337.