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MedKoo Cat#: 466244 | Name: BromoTag® cis-AGB1
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Description:

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

BromoTag® cis-AGB1 is a negative control for BromoTag AGB1. It exhibits no significant VHL binding affinity.

Chemical Structure

BromoTag® cis-AGB1
BromoTag® cis-AGB1
CAS#2776190-80-6

Theoretical Analysis

MedKoo Cat#: 466244

Name: BromoTag® cis-AGB1

CAS#: 2776190-80-6

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

Size Price Availability Quantity
5mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
BromoTag® cis-AGB1; BromoTag® cisAGB1; BromoTag® cis AGB1; BromoTag® cis-AGB1; BromoTag® cis-AGB 1; BromoTag® cis-AGB-1;
IUPAC/Chemical Name
(S)-13-((2S,4S)-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-HENOJDTBSA-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+/m0/s1
SMILES Code
ClC1=CC=C(C=C1)C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(C)S4)C)[C@@H](CC)C(OCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5C[C@@H](O)C[C@H]5C(NCC6=CC=C(C=C6)C7=C(C)N=CS7)=O)=O)=O)=O
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
Solvent mg/mL mM
Solubility
DMSO 103.2 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

View History

NSC-364277

NSC-364277