MedKoo Cat#: 123918 | Name: PROTAC BRD4 Degrader-5
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Description:

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

PROTAC BRD4 Degrader-5 is a PROTAC connected by ligands for von Hippel-Lindau and BRD4.

Chemical Structure

PROTAC BRD4 Degrader-5
PROTAC BRD4 Degrader-5
CAS#2409538-70-9

Theoretical Analysis

MedKoo Cat#: 123918

Name: PROTAC BRD4 Degrader-5

CAS#: 2409538-70-9

Chemical Formula: C50H62ClN9O8S2

Exact Mass: 1015.3851

Molecular Weight: 1016.67

Elemental Analysis: C, 59.07; H, 6.15; Cl, 3.49; N, 12.40; O, 12.59; S, 6.31

Price and Availability

Size Price Availability Quantity
100mg USD 1,550.00 2 Weeks
200mg USD 2,550.00 2 Weeks
500mg USD 3,950.00 2 Weeks
1g USD 4,950.00 2 Weeks
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Related CAS #
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Synonym
PROTAC BRD4 Degrader-5; PROTAC BRD4 Degrader5; PROTAC BRD4 Degrader 5
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(tert-butyl)-17-((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)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
InChi Key
SLPWRCRRHVRNRM-BEGQQDOQSA-N
InChi Code
InChI=1S/C50H62ClN9O8S2/c1-28-31(4)70-49-42(28)43(34-13-15-36(51)16-14-34)55-38(46-58-57-32(5)60(46)49)24-40(62)52-17-18-66-19-20-67-21-22-68-26-41(63)56-45(50(6,7)8)48(65)59-25-37(61)23-39(59)47(64)54-29(2)33-9-11-35(12-10-33)44-30(3)53-27-69-44/h9-16,27,29,37-39,45,61H,17-26H2,1-8H3,(H,52,62)(H,54,64)(H,56,63)/t29-,37+,38-,39-,45+/m0/s1
SMILES Code
O=C([C@H]1N(C([C@@H](NC(COCCOCCOCCNC(C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C4=C(SC(C)=C4C)N5C(C)=NN=C25)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C
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 1,016.67 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
Maneiro MA, Forte N, Shchepinova MM, Kounde CS, Chudasama V, Baker JR, Tate EW. Antibody-PROTAC Conjugates Enable HER2-Dependent Targeted Protein Degradation of BRD4. ACS Chem Biol. 2020 Jun 19;15(6):1306-1312. doi: 10.1021/acschembio.0c00285. Epub 2020 Apr 30. PMID: 32338867; PMCID: PMC7309268.