MedKoo Cat#: 533144 | Name: BI-9321 HCl
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Description:

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

BI-9321 is a novel potent and selective antagonist of the PWWP1 domain of NSD3. BI-9321 targets the methyl-lysine binding site of the PWWP1 domain with sub-micromolar in vitro activity and cellular target engagement at 1 µM. As a single agent, BI-9321 downregulates Myc messenger RNA expression and reduces proliferation in MOLM-13 cells. This first-in-class chemical probe BI-9321, together with the negative control BI-9466, will greatly facilitate the elucidation of the underexplored biological function of PWWP domains.

Chemical Structure

BI-9321 HCl
BI-9321 HCl
CAS#387510-87-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 533144

Name: BI-9321 HCl

CAS#: 387510-87-2 (HCl)

Chemical Formula: C22H24Cl3FN4

Exact Mass: 468.1051

Molecular Weight: 469.81

Elemental Analysis: C, 56.24; H, 5.15; Cl, 22.64; F, 4.04; N, 11.93

Price and Availability

Size Price Availability Quantity
5mg USD 550.00 2 weeks
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Synonym
BI-9321 HCl; BI-9321 hydrochloride, BI-9321 trihydrochloride; BI-9321; BI 9321; BI9321;
IUPAC/Chemical Name
(4-(5-(7-Fluoroquinolin-4-yl)-1-methyl-1H-imidazol-4-yl)-3,5-dimethylphenyl)methanamine trihydrochloride
InChi Key
DCDXMBVQCRHZMW-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H21FN4.3ClH/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19;;;/h4-10,12H,11,24H2,1-3H3;3*1H
SMILES Code
NCC1=CC(C)=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=C1.[H]Cl.[H]Cl.[H]Cl
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 469.81 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
Böttcher et al (2019) Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol. 15 822 PMID: 31285596