MedKoo Cat#: 465478 | Name: BSJ-01-175
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Description:

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

BSJ-01-175 is a CDK12/CDK13 inhibitor.

Chemical Structure

BSJ-01-175
BSJ-01-175
CAS#2227392-55-2

Theoretical Analysis

MedKoo Cat#: 465478

Name: BSJ-01-175

CAS#: 2227392-55-2

Chemical Formula: C30H33ClN6O2

Exact Mass: 544.2354

Molecular Weight: 545.08

Elemental Analysis: C, 66.11; H, 6.10; Cl, 6.50; N, 15.42; O, 5.87

Price and Availability

Size Price Availability Quantity
5mg USD 1,150.00 2 Weeks
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Related CAS #
No Data
Synonym
BSJ-01-175; BSJ01-175; BSJ 01-175 BSJ-01175; BSJ-01 175 BSJ01175; BSJ 01 175;
IUPAC/Chemical Name
(E)-N-(4-(((1R,3R)-3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)cyclohexyl)oxy)phenyl)-4-(dimethylamino)but-2-enamide
InChi Key
DMUSMYYDKCXFKR-MRJIRHQNSA-N
InChi Code
InChI=1S/C30H33ClN6O2/c1-37(2)16-6-11-28(38)34-20-12-14-22(15-13-20)39-23-8-5-7-21(17-23)35-30-33-19-26(31)29(36-30)25-18-32-27-10-4-3-9-24(25)27/h3-4,6,9-15,18-19,21,23,32H,5,7-8,16-17H2,1-2H3,(H,34,38)(H,33,35,36)/b11-6+/t21-,23-/m1/s1
SMILES Code
O=C(/C=C/CN(C)C)NC1=CC=C(O[C@@H]2CCC[C@@H](NC3=NC(C4=CNC5=C4C=CC=C5)=C(Cl)C=N3)C2)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 545.08 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: Jiang B, Jiang J, Kaltheuner IH, Iniguez AB, Anand K, Ferguson FM, Ficarro SB, Seong BKA, Greifenberg AK, Dust S, Kwiatkowski NP, Marto JA, Stegmaier K, Zhang T, Geyer M, Gray NS. Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur J Med Chem. 2021 Oct 5;221:113481. doi: 10.1016/j.ejmech.2021.113481. Epub 2021 Apr 20. PMID: 33945934.