MedKoo Cat#: 466020 | Name: PROTAC AGB1

Description:

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

PROTAC AGB1 is a novel potent, fast, and selective bump-and-hole-PROTAC degrader, targeting BromoTag-Brd2 at endogenous levels.

Chemical Structure

PROTAC AGB1
PROTAC AGB1
CAS#2776190-62-4

Theoretical Analysis

MedKoo Cat#: 466020

Name: PROTAC AGB1

CAS#: 2776190-62-4

Chemical Formula: C51H63ClN8O9S2

Exact Mass: 1030.3848

Molecular Weight: 1031.68

Elemental Analysis: C, 59.37; H, 6.16; Cl, 3.44; N, 10.86; O, 13.96; S, 6.22

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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Synonym
PROTAC AGB1; PROTACAGB1; PROTAC-AGB1;
IUPAC/Chemical Name
(S)-13-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidine-1-carbonyl)-14,14-dimethyl-11-oxo-3,6,9-trioxa-12-azapentadecyl (R)-2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate
InChi Key
ILEZCIMECSOYKF-QLMRCLNASA-N
InChi Code
InChI=1S/C51H63ClN8O9S2/c1-9-38(43-46-58-57-32(5)60(46)49-41(29(2)31(4)71-49)42(56-43)34-14-16-36(52)17-15-34)50(65)69-23-22-67-19-18-66-20-21-68-27-40(62)55-45(51(6,7)8)48(64)59-26-37(61)24-39(59)47(63)53-25-33-10-12-35(13-11-33)44-30(3)54-28-70-44/h10-17,28,37-39,43,45,61H,9,18-27H2,1-8H3,(H,53,63)(H,55,62)/t37-,38-,39+,43+,45-/m1/s1
SMILES Code
ClC1=CC=C(C2=N[C@@H]([C@H](C(OCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)CC)C6=NN=C(C)N6C7=C2C(C)=C(C)S7)C=C1
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 1,031.68 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: Bond AG, Craigon C, Chan KH, Testa A, Karapetsas A, Fasimoye R, Macartney T, Blow JJ, Alessi DR, Ciulli A. Development of BromoTag: A "Bump-and-Hole"-PROTAC System to Induce Potent, Rapid, and Selective Degradation of Tagged Target Proteins. J Med Chem. 2021 Oct 28;64(20):15477-15502. doi: 10.1021/acs.jmedchem.1c01532. Epub 2021 Oct 15. PMID: 34652918; PMCID: PMC8558867.