MedKoo Cat#: 123546 | Name: HBL-4

Description:

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

HBL-4 is a PROTAC targeting BRD

Chemical Structure

HBL-4
HBL-4
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 123546

Name: HBL-4

CAS#: N/A

Chemical Formula: C41H49N9O9

Exact Mass: 811.3700

Molecular Weight: 811.90

Elemental Analysis: C, 60.65; H, 6.08; N, 15.53; O, 17.74

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
HBL-4; HBL4; HBL 4
IUPAC/Chemical Name
4-(((R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-N-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)ethyl)-3-methoxybenzamide
InChi Key
QSDZWQSDYJSGFC-IDCGIGBZSA-N
InChi Code
InChI=1S/C41H49N9O9/c1-4-29-39(55)48(2)31-23-44-41(47-35(31)49(29)25-8-5-6-9-25)45-27-13-12-24(22-32(27)57-3)36(52)43-17-19-59-21-20-58-18-16-42-28-11-7-10-26-34(28)40(56)50(38(26)54)30-14-15-33(51)46-37(30)53/h7,10-13,22-23,25,29-30,42H,4-6,8-9,14-21H2,1-3H3,(H,43,52)(H,44,45,47)(H,46,51,53)/t29-,30?/m1/s1
SMILES Code
O=C(C1=C2C=CC=C1NCCOCCOCCNC(C3=CC(OC)=C(NC4=NC5=C(N(C)C([C@@H](CC)N5C6CCCC6)=O)C=N4)C=C3)=O)N(C(CC7)C(NC7=O)=O)C2=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 811.90 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: Mu X, Bai L, Xu Y, Wang J, Lu H. Protein targeting chimeric molecules specific for dual bromodomain 4 (BRD4) and Polo-like kinase 1 (PLK1) proteins in acute myeloid leukemia cells. Biochem Biophys Res Commun. 2020 Jan 22;521(4):833-839. doi: 10.1016/j.bbrc.2019.11.007. Epub 2019 Nov 7. PMID: 31708096. 2: Gaidano G, Cechova K, Chang Y, Moore PS, Knowles DM, Dalla-Favera R. Establishment of AIDS-related lymphoma cell lines from lymphomatous effusions. Leukemia. 1996 Jul;10(7):1237-40. PMID: 8684008. 3: Wang X, Song N. An improved biotic ligand model (BLM) for predicting Co(II)-toxicity to wheat root elongation: The influences of toxic metal speciation and accompanying ions. Ecotoxicol Environ Saf. 2019 Oct 30;182:109433. doi: 10.1016/j.ecoenv.2019.109433. Epub 2019 Jul 15. PMID: 31319244. 4: Abe M, Suzuki O, Tasaki K, Tominaga K, Wakasa H. Analysis of lectin binding properties on human Burkitt's lymphoma cell lines that show high spontaneous metastasis to distant organs in SCID mice: the binding sites for soybean agglutinin lectin masked by sialylation are closely associated with metastatic lymphoma cells. Pathol Int. 1996 Dec;46(12):977-83. doi: 10.1111/j.1440-1827.1996.tb03577.x. PMID: 9110350. 5: Abe M, Tasaki K, Tominaga K, Fukuhara S, Imai S, Osato T, Wakasa H. Characterization and comparison of two newly established Epstein-Barr virus (EBV)-negative and EBV-positive Burkitt's lymphoma cell lines. EBV-negative cell line with a low level of expression of ICAM-1 molecule and EBV-positive cell line with a high level of expression of ICAM-1 molecule. Cancer. 1992 Feb 1;69(3):763-71. doi: 10.1002/1097-0142(19920201)69:3<763::aid- cncr2820690325>3.0.co;2-#. PMID: 1309680.