MedKoo Cat#: 408129 | Name: HUN47990

Description:

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

HUN47990 is a bisphosphonate (BP) prodrug with antitumor activity. HUN47990 potently inhibits the in vitro growth of a variety of tumor cell lines, especially hematopoietic cell lines, at nanomolar concentrations. HUN47990 inhibited the prenylation of the RAP1A small GTPase signaling protein at concentrations as low as 1-10 nM. HUN47990 slowed the growth of human bladder cancer cells in an immunodeficient mouse model. HUN47990 is significantly more active than zoledronic acid, the most active FDA-approved BP, and a potential anti-cancer therapeutic. HUN47990 was first reported in ChemMedChem. 2016 Dec 16;11(24):2656-2663 (compound 7). This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

HUN47990
HUN47990
CAS#1950647-99-0

Theoretical Analysis

MedKoo Cat#: 408129

Name: HUN47990

CAS#: 1950647-99-0

Chemical Formula: C29H50N2O14P2S

Exact Mass: 744.2458

Molecular Weight: 744.73

Elemental Analysis: C, 46.77; H, 6.77; N, 3.76; O, 30.08; P, 8.32; S, 4.30

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.
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Related CAS #
No Data
Synonym
HUN47990; HUN 47990; HUN-47990;
IUPAC/Chemical Name
(((2-(thiazol-2-ylamino)ethane-1,1-diyl)bis(oxo-l5-phosphanetriyl))tetrakis(oxy))tetrakis(methylene) tetrakis(2,2-dimethylpropanoate)
InChi Key
HOGJZIRYAJSBJH-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H50N2O14P2S/c1-26(2,3)21(32)38-16-42-46(36,43-17-39-22(33)27(4,5)6)20(15-31-25-30-13-14-48-25)47(37,44-18-40-23(34)28(7,8)9)45-19-41-24(35)29(10,11)12/h13-14,20H,15-19H2,1-12H3,(H,30,31)
SMILES Code
CC(C)(C(OCOP(C(CNC1=NC=CS1)P(OCOC(C(C)(C)C)=O)(OCOC(C(C)(C)C)=O)=O)(OCOC(C(C)(C)C)=O)=O)=O)C
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
>2 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
Nitrogen-containing bisphosphonates have anti-tumor activity in certain breast cancer and myeloma patients. However, these drugs have limited oral absorption, tumor cell entry and activity, and cause bone side effects. The potencies of phosphorylated antiviral drugs have been increased by administering them as prodrugs in which the negative charges on the phosphate moieties are masked to make them lipophilic.
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 0.00
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 744.73 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
Matsumoto K, Hayashi K, Murata-Hirai K, Iwasaki M, Okamura H, Minato N, Morita CT, Tanaka Y. Targeting Cancer Cells with a Bisphosphonate Prodrug. ChemMedChem. 2016 Dec 16;11(24):2656-2663. doi: 10.1002/cmdc.201600465. Epub 2016 Oct 27. PMID: 27786425; PMCID: PMC5605902.